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CAS 1345202-03-0 2,3′-Bi-9H-carbazole, 9′-phenyl- molecular structure lightbox
CAS RN: 1345202-03-0

2,3′-Bi-9H-carbazole, 9′-phenyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1345202-03-0
  • Purity/Analytical Methods: >99.0%
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1345202-03-0 / 3-(9H-carbazol-2-yl)-9-phenylcarbazole

Standard CAS: 1345202-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1345202-03-0
Multi CAS
No
Molecular Formula
C30H20N2
Molecular Weight
408.500000
Exact Mass
408.162649
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5)C7=CC=CC=C72
InChI
InChI=1S/C30H20N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-25(29)26-18-20(15-17-30(26)32)21-14-16-24-23-10-4-6-12-27(23)31-28(24)19-21/h1-19,31H
InChIKey
JNIGFUXIZVCEED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
135.58
TPSA
20.72

LogP / Solubility

WLOGP
8.09
MLOGP
7.14
XLogP3
8.1
Consensus LogP
7.78
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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