![CAS 1138220-69-5 2,7-Bis[N,N-bis(4-methoxyphenyl)amino]-9,9-spirobi[9H-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4959-jpgcontextbwfzdgvyfhjvb3r8mzkxnjj8aw1hz2uvanblz3xomzkvadq5lzg5mjkxnduzmjm1ntavqjq5ntkuanbnfgi3ogvmnmfimgi0ywu0ndczn2qynwvmowq5mwvkyje5yjjmyty1y2nknzmwmjnlnddkotk0y2flyznmzjy4mmq.jpeg)
CAS RN: 1138220-69-5
2,7-Bis[N,N-bis(4-methoxyphenyl)amino]-9,9-spirobi[9H-fluorene]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251102 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTB4959
- Purity/Analytical Methods: >98.0%(HPLC)(N)
1138220-69-5 / 2-N',2-N',7-N',7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
2,7-Bis[N,N-bis(4-methoxyphenyl)amino]-9,9-spirobi[9H-fluorene] | MFCD12022438 | Meo-Spiro-TPD, 2,7-Bis[N,N-bis(4-Methoxy-phenyl)aMino]9,9-sp
Basic Information
CAS
1138220-69-5
Multi CAS
No
Molecular Formula
C53H42N2O4
Molecular Weight
770.900000
Exact Mass
770.314458
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)N(C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC
InChI
InChI=1S/C53H42N2O4/c1-56-41-23-13-35(14-24-41)54(36-15-25-42(57-2)26-16-36)39-21-31-47-48-32-22-40(55(37-17-27-43(58-3)28-18-37)38-19-29-44(59-4)30-20-38)34-52(48)53(51(47)33-39)49-11-7-5-9-45(49)46-10-6-8-12-50(46)53/h5-34H,1-4H3
InChIKey
LZHVTCXAXYYCIF-UHFFFAOYSA-N
Synonyms
2,7-Bis[N,N-bis(4-methoxyphenyl)amino]-9,9-spirobi[9H-fluorene]
MFCD12022438
Meo-Spiro-TPD, 2,7-Bis[N,N-bis(4-Methoxy-phenyl)aMino]9,9-sp
2-N',2-N',7-N',7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
N2,N2,N7,N7-Tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,7-diamine
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
48
Fraction Csp3
0.09
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
238.31
TPSA
43.4
LogP / Solubility
WLOGP
13
MLOGP
11.51
XLogP3
12.7
Consensus LogP
12.4
Log S (ESOL)
-12.75
Class (ESOL)
Insoluble
Log S (Ali)
-15.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
Customers Also Viewed
-
![CAS 209980-53-0 N,N’-Bis[4-(diphenylamino)phenyl]-N,N’-diphenylbenzidine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N,N’-Bis[4-(diphenylamino)phenyl]-N,N’-diphenylbenzidine
- CAS RN: 209980-53-0
- Product Code: SSC-099845
-
2,7-Bis[N-(1-naphthyl)anilino]-9,9-dimethylfluorene
- CAS RN: 222319-05-3
- Product Code: SSC-107053
-
4,4′-Bis[di(3,5-xylyl)amino]-4”-phenyltriphenylamine
- CAS RN: 249609-49-2
- Product Code: ICTB2269
- Purity/Analytical method: >98.0%(HPLC)
-
N,N-Bis(9,9-dimethyl-9H-fluoren-2-yl)aniline
- CAS RN: 165320-27-4
- Product Code: ICTB5045
- Purity/Analytical method: >98.0%(N)
-
N,N’-Bis[4-di(m-tolyl)aminophenyl]-N,N’-diphenylbenzidine
- CAS RN: 199121-98-7
- Product Code: SSC-093771
-
4,4′-Bis[N-(1-naphthyl)-N-phenylamino]-4”-phenyltriphenylamine
- CAS RN: 1073183-32-0
- Product Code: ICTB2305
- Purity/Analytical method: >98.0%(HPLC)
![CAS 209980-53-0 N,N’-Bis[4-(diphenylamino)phenyl]-N,N’-diphenylbenzidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5117-jpgcontextbwfzdgvyfhjvb3r8mzgymdh8aw1hz2uvanblz3xoowevaduzlzg5mjkxntm3nzc2otqvqjuxmtcuanbnfgnhmdiwmjixntgyyjexmte4mmm4mmjintiwyzvjmjawyzkyyzmxowvkmjhhzdrindc3nwzhmjm2nmnlowy5ogm.jpeg)
![CAS 222319-05-3 2,7-Bis[N-(1-naphthyl)anilino]-9,9-dimethylfluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4926-jpgcontextbwfzdgvyfhjvb3r8mzc2ndr8aw1hz2uvanblz3xondgvadg2lzg5mjkxndm0odg1ndivqjq5mjyuanbnfdm0mzg5nwiwzjjizdflzmqyndg3m2i3zjqynmzkogzizmuxnwyyzjcyztk4mdcwntzinmq2y2uymjzjyzkzogm.jpeg)
![CAS 249609-49-2 4,4′-Bis[di(3,5-xylyl)amino]-4”-phenyltriphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2269-jpgcontextbwfzdgvyfhjvb3r8ndm5mzj8aw1hz2uvanblz3xomjqvagrllzg5mjg4mti3otm4odyvqjiynjkuanbnfdkymjkyndmwngy1yzlkmwm3odkwm2iwnjrmogy2odjkmzk5yzdmndyxymewyznjzty4njczmzkxyjyzyznhywm.jpeg)
![CAS 199121-98-7 N,N’-Bis[4-di(m-tolyl)aminophenyl]-N,N’-diphenylbenzidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5634-jpgcontextbwfzdgvyfhjvb3r8mzu1mdz8aw1hz2uvanblz3xomjkvagzjlzg5mjkymta2nji5ndivqju2mzquanbnfgm3yjy4zgzjnmyyzwuynjm5mdzjyzcxzta0mzm3owjin2rjzja4ztg5njrkngm4zwqxodk0ndy0zgizytc1yjm.jpeg)
![CAS 1073183-32-0 4,4′-Bis[N-(1-naphthyl)-N-phenylamino]-4”-phenyltriphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2305-jpgcontextbwfzdgvyfhjvb3r8ndqwotr8aw1hz2uvanblz3xoywuvadrllzg5mjg4mtq3ntk5njyvqjizmduuanbnfdy4zwi3nzljngzhnjkwngjhndq5ngiymmixy2mxyjy0nzy2mwe4ztvlmdllmjm5mzbmnzdizwy4otllote2zmi.jpeg)