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CAS 1028648-47-6 [1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-N-[4-(9-phenyl-9H-carbazol-3-yl)phenyl]- molecular structure lightbox
CAS RN: 1028648-47-6

[1,1′-Biphenyl]-4-amine, N-[1,1′-biphenyl]-4-yl-N-[4-(9-phenyl-9H-carbazol-3-yl)phenyl]-

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Batchno.20260121 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1028648-47-6
  • Purity/Analytical Methods: >99.0%
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1028648-47-6 / 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline

N-([1,1'-Biphenyl]-4-yl)-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-[1,1'-biphenyl]-4-amine | 3-[4-[Bis(1,1'-biphenyl-4-yl)amino]phenyl]-9-phenyl-9H-carbazole | 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline

Standard CAS: 1028648-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1028648-47-6
Multi CAS
No
Molecular Formula
C48H34N2
Molecular Weight
638.800000
Exact Mass
638.272199
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9
InChI
InChI=1S/C48H34N2/c1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-48-46(34-40)45-18-10-11-19-47(45)50(48)41-16-8-3-9-17-41/h1-34H
InChIKey
AZLONVAUUPEURC-UHFFFAOYSA-N
Synonyms
N-([1,1'-Biphenyl]-4-yl)-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-[1,1'-biphenyl]-4-amine 3-[4-[Bis(1,1'-biphenyl-4-yl)amino]phenyl]-9-phenyl-9H-carbazole 4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline SCHEMBL879263 SCHEMBL29402438

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
49
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
211.77
TPSA
8.17

LogP / Solubility

WLOGP
13.25
MLOGP
11.72
XLogP3
13.1
Consensus LogP
12.69
Log S (ESOL)
-12.41
Class (ESOL)
Insoluble
Log S (Ali)
-14.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.65
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)
2.79

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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