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CAS 1401351-59-4 N-([1,1′-biphenyl]-2-yl)-[1,1′:4′,1”-terphenyl]4-amine molecular structure lightbox
CAS RN: 1401351-59-4

N-([1,1′-biphenyl]-2-yl)-[1,1′:4′,1”-terphenyl]4-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1401351-59-4
  • Purity/Analytical Methods: >99.0%
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1401351-59-4 / 2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

Standard CAS: 1401351-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401351-59-4
Multi CAS
No
Molecular Formula
C30H23N
Molecular Weight
397.500000
Exact Mass
397.183050
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C30H23N/c1-3-9-23(10-4-1)24-15-17-25(18-16-24)26-19-21-28(22-20-26)31-30-14-8-7-13-29(30)27-11-5-2-6-12-27/h1-22,31H
InChIKey
ZZHLMZTUBCZMAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
132.47
TPSA
12.03

LogP / Solubility

WLOGP
8.43
MLOGP
7.44
XLogP3
8.3
Consensus LogP
8.06
Log S (ESOL)
-8
Class (ESOL)
Insoluble
Log S (Ali)
-8.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
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)
0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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