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CAS 113664-24-7 N4,N4,N4′,N4′-tetrakis(4-bromophenyl)-[1,1′-biphenyl]-4,4′-diamine molecular structure lightbox
CAS RN: 113664-24-7

N4,N4,N4′,N4′-tetrakis(4-bromophenyl)-[1,1′-biphenyl]-4,4′-diamine

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260130 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250531 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250907 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250407 5g Out of stock Inquiry
  • Product code: starshine_CAS113664-24-7
  • Purity/Analytical Methods: >99.0%
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113664-24-7 / 4-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-N,N-bis(4-bromophenyl)aniline

N4,N4,N4',N4'-Tetrakis(4-bromophenyl)-[1,1'-biphenyl]-4,4'-diamine | MFCD23381083 | 4-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-N,N-bis(4-bromophenyl)aniline

Standard CAS: 113664-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113664-24-7
Multi CAS
No
Molecular Formula
C36H24Br4N2
Molecular Weight
804.200000
Exact Mass
803.863200
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)N(C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br
InChI
InChI=1S/C36H24Br4N2/c37-27-5-17-33(18-6-27)41(34-19-7-28(38)8-20-34)31-13-1-25(2-14-31)26-3-15-32(16-4-26)42(35-21-9-29(39)10-22-35)36-23-11-30(40)12-24-36/h1-24H
InChIKey
CRGHMHFRUWWRBW-UHFFFAOYSA-N
Synonyms
N4,N4,N4',N4'-Tetrakis(4-bromophenyl)-[1,1'-biphenyl]-4,4'-diamine MFCD23381083 4-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]-N,N-bis(4-bromophenyl)aniline C36H24Br4N2 SCHEMBL3794654

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
36
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
192.04
TPSA
6.48

LogP / Solubility

WLOGP
13.34
MLOGP
11.81
XLogP3
13.6
Consensus LogP
12.92
Log S (ESOL)
-13.4
Class (ESOL)
Insoluble
Log S (Ali)
-15.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.8
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)
1.85

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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