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CAS 1402543-31-0 9,9”-Diphenyl-9H,9’H,9”H-3,2′:7′,3”-tercarbazole molecular structure lightbox
CAS RN: 1402543-31-0

9,9”-Diphenyl-9H,9’H,9”H-3,2′:7′,3”-tercarbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: ICTD5413
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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1402543-31-0 / 2,7-bis(9-phenylcarbazol-3-yl)-9H-carbazole

Standard CAS: 1402543-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402543-31-0
Multi CAS
No
Molecular Formula
C48H31N3
Molecular Weight
649.800000
Exact Mass
649.251798
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5)C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C12
InChI
InChI=1S/C48H31N3/c1-3-11-35(12-4-1)50-45-17-9-7-15-39(45)41-27-31(21-25-47(41)50)33-19-23-37-38-24-20-34(30-44(38)49-43(37)29-33)32-22-26-48-42(28-32)40-16-8-10-18-46(40)51(48)36-13-5-2-6-14-36/h1-30,49H
InChIKey
OXYUAOUFXFTZFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
51
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
215.35
TPSA
25.65

LogP / Solubility

WLOGP
12.85
MLOGP
11.36
XLogP3
12.8
Consensus LogP
12.34
Log S (ESOL)
-12.44
Class (ESOL)
Insoluble
Log S (Ali)
-14.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.03
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)
2.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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