CAS RN: 361486-60-4
N,N’-Bis(9,9-dimethyl-9H-fluoren-2-yl)-N,N’-diphenylbenzidine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTB4962
- Purity/Analytical Methods: >98.0%(HPLC)(N)
361486-60-4 / N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
Basic Information
CAS
361486-60-4
Multi CAS
Yes
Molecular Formula
C54H44N2
Molecular Weight
720.900000
Exact Mass
720.350449
InChI
InChI=1S/C54H44N2/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44/h5-36H,1-4H3
InChIKey
VZYZZKOUCVXTOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
48
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
236.37
TPSA
6.48
LogP / Solubility
WLOGP
14.91
MLOGP
13.18
XLogP3
15
Consensus LogP
14.36
Log S (ESOL)
-13.87
Class (ESOL)
Insoluble
Log S (Ali)
-16.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.56
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)
3.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
![CAS 58473-78-2 1,1-Bis[4-[N,N-di(p-tolyl)amino]phenyl]cyclohexane (purified) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,1-Bis[4-[N,N-di(p-tolyl)amino]phenyl]cyclohexane (purified)
- CAS RN: 58473-78-2
- Product Code: SSC-166709
-
-
N,N,N’,N’-Tetraphenyl[1,1′:4′,1”:4”,1”’-quaterphenyl]-4,4”’-diamine
- CAS RN: 145898-89-1
- Product Code: SSC-057055
-
N,N’-Di-2-naphthyl-N,N’-diphenylbenzidine
- CAS RN: 139255-17-7
- Product Code: ICTD4253
- Purity/Analytical method: >99.0%(HPLC)(N)
-
1,3,5-Tris(4-biphenylyl)benzene
- CAS RN: 6326-64-3
- Product Code: ICTT3461
- Purity/Analytical method: >98.0%(HPLC)
-
N,N,N’,N’-Tetra([1,1′-biphenyl]-4-yl)[1,1′:4′,1”-terphenyl]-4,4”-diamine
- CAS RN: 952431-34-4
- Product Code: SSC-210550
![CAS 58473-78-2 1,1-Bis[4-[N,N-di(p-tolyl)amino]phenyl]cyclohexane (purified) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3146-jpgcontextbwfzdgvyfhjvb3r8mzuzmdf8aw1hz2uvanblz3xomgyvadewlzg5mjg5mtc1mja0mtqvqjmxndyuanbnfdu2odg4ymzjm2iyztfizjg0ytfmm2zindrkm2y1ogfjogeynzi5mgezytrjotrlztqzogjlzdllngq4odazztu.jpeg)
![CAS 145898-89-1 N,N,N’,N’-Tetraphenyl[1,1′:4′,1”:4”,1”’-quaterphenyl]-4,4”’-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3657-jpgcontextbwfzdgvyfhjvb3r8mza4mdz8aw1hz2uvanblz3xoyjmvadizlzg5mzi3mtg0nzczndivvdm2ntcuanbnfdjmnzuwyze1ndq3ztiwyzk0owjlzte3ndq1mgfhzjlizdq2mdnjnzhhodm3ntgzoti3n2m2mdvmywzjntmymmu.jpeg)
![CAS 952431-34-4 N,N,N’,N’-Tetra([1,1′-biphenyl]-4-yl)[1,1′:4′,1”-terphenyl]-4,4”-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3656-jpgcontextbwfzdgvyfhjvb3r8mzy5mdl8aw1hz2uvanblz3xonjivadi0lzg5mzi3mtg0mte4mdyvvdm2ntyuanbnfdezmwvlzdi5mge2nzy3mtlhztixmjkyngi5mwnjotawntmxmgrhmtdhmzzhyzu4mjc0zjqyngrmzwjmnddjyjy.jpeg)