CAS RN: 1923735-59-4

[1,1′:3′,1”-Terphenyl]-4′-amine, N-[4-(1-naphthalenyl)phenyl]-

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  • Product code: starshine_CAS1923735-59-4
  • Purity/Analytical Methods: >99.0%
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1923735-59-4 / N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline

Standard CAS: 1923735-59-4 Multi CAS: No

Basic Information

CAS
1923735-59-4
Multi CAS
No
Molecular Formula
C34H25N
Molecular Weight
447.600000
Exact Mass
447.198700
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)NC3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C34H25N/c1-3-10-25(11-4-1)29-20-23-34(33(24-29)27-12-5-2-6-13-27)35-30-21-18-28(19-22-30)32-17-9-15-26-14-7-8-16-31(26)32/h1-24,35H
InChIKey
REMCIXNSORACAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
34
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
149.98
TPSA
12.03

LogP / Solubility

WLOGP
9.58
MLOGP
8.46
XLogP3
9.6
Consensus LogP
9.21
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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