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CAS 1619966-75-4 9-[1,1′-Biphenyl]-3-yl-9′-phenyl-3,3′-bi-9H-carbazole molecular structure lightbox
CAS RN: 1619966-75-4

9-[1,1′-Biphenyl]-3-yl-9′-phenyl-3,3′-bi-9H-carbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1619966-75-4
  • Purity/Analytical Methods: >99.0%
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1619966-75-4 / 3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole

Standard CAS: 1619966-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1619966-75-4
Multi CAS
No
Molecular Formula
C42H28N2
Molecular Weight
560.700000
Exact Mass
560.225249
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C93
InChI
InChI=1S/C42H28N2/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-40-21-10-8-19-36(40)38-28-32(23-25-42(38)44)31-22-24-41-37(27-31)35-18-7-9-20-39(35)43(41)33-15-5-2-6-16-33/h1-28H
InChIKey
RPMPSNWINQPFKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
185.99
TPSA
9.86

LogP / Solubility

WLOGP
11.21
MLOGP
9.91
XLogP3
11.3
Consensus LogP
10.81
Log S (ESOL)
-10.86
Class (ESOL)
Insoluble
Log S (Ali)
-12.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.09
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.82

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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