![CAS 1092356-36-9 Tris[4′-(2-thienyl)-4-biphenylyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3337-jpgcontextbwfzdgvyfhjvb3r8mzqxotz8aw1hz2uvanblz3xoyjqvagexlzg5mzi3mdqyntywmzavvdmzmzcuanbnfdq1yzvknzezmzgyodhhnwrhmgu1owjhyzlhnjq2mwu3mzkwnzi4mda0zmm1nziwnza1mzm1ytq3owfimdqwodg.jpeg)
CAS RN: 1092356-36-9
Tris[4′-(2-thienyl)-4-biphenylyl]amine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: ICTT3337
- Purity/Analytical Methods: >97.0%(HPLC)(N)
1092356-36-9 / 4-(4-thiophen-2-ylphenyl)-N,N-bis[4-(4-thiophen-2-ylphenyl)phenyl]aniline
Tris(4-(5-phenylthiophen-2-yl)phenyl)amine | Tris[4-(5-phenylthiophen-2-yl)phenyl]amine | MFCD28291947
Basic Information
CAS
1092356-36-9
Multi CAS
Yes
Molecular Formula
C48H33NS3
Molecular Weight
720.000000
Exact Mass
719.177514
SMILES
C1=CSC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=CS6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=CS9
InChI
InChI=1S/C48H33NS3/c1-4-46(50-31-1)40-13-7-34(8-14-40)37-19-25-43(26-20-37)49(44-27-21-38(22-28-44)35-9-15-41(16-10-35)47-5-2-32-51-47)45-29-23-39(24-30-45)36-11-17-42(18-12-36)48-6-3-33-52-48/h1-33H
InChIKey
STWJEWBEHUGXTL-UHFFFAOYSA-N
Synonyms
Tris(4-(5-phenylthiophen-2-yl)phenyl)amine
Tris[4-(5-phenylthiophen-2-yl)phenyl]amine
MFCD28291947
TPTPA
4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
51
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
227.37
TPSA
3.24
LogP / Solubility
WLOGP
15.34
MLOGP
13.56
XLogP3
14.1
Consensus LogP
14.33
Log S (ESOL)
-14.1
Class (ESOL)
Insoluble
Log S (Ali)
-16.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.15
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)
3.78
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 124729-98-2 4,4′,4”-Tris[phenyl(m-tolyl)amino]triphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2251-jpgcontextbwfzdgvyfhjvb3r8nde2mjz8aw1hz2uvanblz3xon2qvagnmlzg5mzi1odi5ndg4otqvvdiynteuanbnfgiynjvlmjq1m2mwy2uwzdnhyzixyzmwndk5ntbjmzczymi2yzrknde2mtu5mzu3mzg3m2izymrjogq2zgjknju.jpeg)
