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CAS 750573-28-5 9,9′-[1,1′-Biphenyl]-3,5-diylbis-9H-carbazole molecular structure lightbox
CAS RN: 750573-28-5

9,9′-[1,1′-Biphenyl]-3,5-diylbis-9H-carbazole

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  • Product code: starshine_CAS750573-28-5
  • Purity/Analytical Methods: >99.0%
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750573-28-5 / 9-(3-carbazol-9-yl-5-phenylphenyl)carbazole

Standard CAS: 750573-28-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
750573-28-5
Multi CAS
Yes
Molecular Formula
C36H24N2
Molecular Weight
484.600000
Exact Mass
484.193949
InChI
InChI=1S/C36H24N2/c1-2-12-25(13-3-1)26-22-27(37-33-18-8-4-14-29(33)30-15-5-9-19-34(30)37)24-28(23-26)38-35-20-10-6-16-31(35)32-17-7-11-21-36(32)38/h1-24H
InChIKey
CVXXPNSMZIRFAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
160.56
TPSA
9.86

LogP / Solubility

WLOGP
9.55
MLOGP
8.44
XLogP3
9.7
Consensus LogP
9.23
Log S (ESOL)
-9.4
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
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)
1.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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