![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)
CAS RN: 1073183-32-0
4,4′-Bis[N-(1-naphthyl)-N-phenylamino]-4”-phenyltriphenylamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB2305
- Purity/Analytical Methods: >98.0%(HPLC)
1073183-32-0 / 4-N-naphthalen-1-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
4,4'-Bis[N-(1-naphthyl)-N-phenylamino]-4''-phenyltriphenylamine | MFCD06797058 | 4-N-naphthalen-1-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
Basic Information
CAS
1073183-32-0
Multi CAS
Yes
Molecular Formula
C56H41N3
Molecular Weight
755.900000
Exact Mass
755.330048
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19
InChI
InChI=1S/C56H41N3/c1-4-16-42(17-5-1)43-30-32-48(33-31-43)57(49-34-38-51(39-35-49)58(46-22-6-2-7-23-46)55-28-14-20-44-18-10-12-26-53(44)55)50-36-40-52(41-37-50)59(47-24-8-3-9-25-47)56-29-15-21-45-19-11-13-27-54(45)56/h1-41H
InChIKey
PCKGGBIOVDMNCP-UHFFFAOYSA-N
Synonyms
4,4'-Bis[N-(1-naphthyl)-N-phenylamino]-4''-phenyltriphenylamine
MFCD06797058
4-N-naphthalen-1-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
N1-{[1,1'-biphenyl]-4-yl}-N4-(naphthalen-1-yl)-N1-{4-[(naphthalen-1-yl)(phenyl)amino]phenyl}-N4-phenylbenzene-1,4-diamine
4,4-Bis[N-(1-naphthyl)-N-phenylamino]-4-phenyltriphenylamine
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
56
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
250.94
TPSA
9.72
LogP / Solubility
WLOGP
16.07
MLOGP
14.21
XLogP3
15.8
Consensus LogP
15.36
Log S (ESOL)
-14.69
Class (ESOL)
Insoluble
Log S (Ali)
-17.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.11
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)
4.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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