![CAS 142894-38-0 1,3,5-Tris[4-[bis(4-methoxyphenyl)amino]phenyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3437-jpgcontextbwfzdgvyfhjvb3r8mzc2mdz8aw1hz2uvanblz3xoywqvadk0lzg5mzi3mdkxmdu2otqvvdm0mzcuanbnfdcwywiwmtvlzmvmmmq0otmymmjhmwywmzuynzk4zmizota5otvmywewnmi4mziznzeymtizmjmyy2i1ytaymte.jpeg)
CAS RN: 142894-38-0
1,3,5-Tris[4-[bis(4-methoxyphenyl)amino]phenyl]benzene
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: ICTT3437
- Purity/Analytical Methods: >95.0%(HPLC)
142894-38-0 / 4-[3,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
Basic Information
CAS
142894-38-0
Multi CAS
No
Molecular Formula
C66H57N3O6
Molecular Weight
988.200000
Exact Mass
987.424737
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC
InChI
InChI=1S/C66H57N3O6/c1-70-61-31-19-55(20-32-61)67(56-21-33-62(71-2)34-22-56)52-13-7-46(8-14-52)49-43-50(47-9-15-53(16-10-47)68(57-23-35-63(72-3)36-24-57)58-25-37-64(73-4)38-26-58)45-51(44-49)48-11-17-54(18-12-48)69(59-27-39-65(74-5)40-28-59)60-29-41-66(75-6)42-30-60/h7-45H,1-6H3
InChIKey
GMEQIEASMOFEOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
75
Aromatic heavy atom count
60
Fraction Csp3
0.09
Rotatable bonds
18
H-bond acceptors
9
Molar refractivity
306.11
TPSA
65.1
LogP / Solubility
WLOGP
17.15
MLOGP
15.19
XLogP3
16.3
Consensus LogP
16.21
Log S (ESOL)
-16.17
Class (ESOL)
Insoluble
Log S (Ali)
-20.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.48
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)
3.43
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
![CAS 142807-63-4 Tris[4-(2-thienyl)phenyl]amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
1,3,5-Tris[4-(9-carbazolyl)phenyl]benzene
- CAS RN: 160780-82-5
- Product Code: ICTT3439
- Purity/Analytical method: >98.0%(HPLC)(N)
-
9,9-Bis[4-[N-(1-naphthyl)anilino]phenyl]fluorene
- CAS RN: 510775-24-3
- Product Code: SSC-157870
-
N,N’-Bis(4-methoxy-2-methylphenyl)-N,N’-diphenylbenzidine
- CAS RN: 169685-34-1
- Product Code: SSC-074285
-
(E,E)-1,4-Bis[4-[bis(4-methoxyphenyl)amino]styryl]benzene
- CAS RN: 872466-50-7
- Product Code: SSC-197012
-
2,7-Bis[N,N-bis(4-methoxyphenyl)amino]-9,9-spirobi[9H-fluorene]
- CAS RN: 1138220-69-5
- Product Code: ICTB4959
- Purity/Analytical method: >98.0%(HPLC)(N)
![CAS 142807-63-4 Tris[4-(2-thienyl)phenyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3050-jpgcontextbwfzdgvyfhjvb3r8mzu1ndf8aw1hz2uvanblz3xozwyvaddklzg5mzi2ntcynjy3mtgvvdmwntauanbnfgjiowizndqxymm0ztawmzzlnmmxymqyzmqxndmxnjcwzjizzjrkmdvlnziwyzg2mgu0yji5ndk3zwq2nzjmzdc.jpeg)
![CAS 160780-82-5 1,3,5-Tris[4-(9-carbazolyl)phenyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3439-jpgcontextbwfzdgvyfhjvb3r8nda5ntl8aw1hz2uvanblz3xozwuvadkwlzg5mzi3mdkymzy3njyvvdm0mzkuanbnfdu4mmvmndk0yzzhyznhnjcwnwmwntvimzc2mjczy2jjymyyntvmode5odawzwizndzhngq3zjm5zjllmzkwytm.jpeg)
![CAS 510775-24-3 9,9-Bis[4-[N-(1-naphthyl)anilino]phenyl]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4979-jpgcontextbwfzdgvyfhjvb3r8nduwoth8aw1hz2uvanblz3xoogyvagi2lzg5mjkxndy0mzc2njivqjq5nzkuanbnfgu0zjhmntq4mjbmngqznji3ogjmnwvjngvjowq1nzhmota2nzzizty5mza2n2qxyzlkyjk1njeynjq0ntk5mzm.jpeg)
![CAS 872466-50-7 (E,E)-1,4-Bis[4-[bis(4-methoxyphenyl)amino]styryl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5672-jpgcontextbwfzdgvyfhjvb3r8mjk5mzd8aw1hz2uvanblz3xomjqvadnilzg5mjkymtizmdezndivqju2nziuanbnfddhnzrjzdixzmjkyjfkytbjowizyjjmzdexztu2n2vjmta5n2uymgvimzrizmvjzwqzodm3ngy5ntniztjizjk.jpeg)
![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)