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CAS 1129403-30-0 9H-Carbazole, 9-[1,1′:4′,1”-terphenyl]-4-yl- molecular structure lightbox
CAS RN: 1129403-30-0

9H-Carbazole, 9-[1,1′:4′,1”-terphenyl]-4-yl-

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Batchno.20250729 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1129403-30-0
  • Purity/Analytical Methods: >99.0%
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1129403-30-0 / 9-[4-(4-phenylphenyl)phenyl]carbazole

9-([1,1':4',1''-Terphenyl]-4-yl)-9H-carbazole | 9-[4-(4-phenylphenyl)phenyl]carbazole | SCHEMBL15213597

Standard CAS: 1129403-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1129403-30-0
Multi CAS
No
Molecular Formula
C30H21N
Molecular Weight
395.500000
Exact Mass
395.167400
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C30H21N/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)25-18-20-26(21-19-25)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-21H
InChIKey
VAUKVPBLTTUDAS-UHFFFAOYSA-N
Synonyms
9-([1,1':4',1''-Terphenyl]-4-yl)-9H-carbazole 9-[4-(4-phenylphenyl)phenyl]carbazole SCHEMBL15213597 MFCD34601717 BS-47985

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
31
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
131.65
TPSA
4.93

LogP / Solubility

WLOGP
8.12
MLOGP
7.17
XLogP3
8.2
Consensus LogP
7.83
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
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)
0.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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