![CAS 2370920-87-7 [1,1′-Biphenyl]-4-acetonitrile, 4′-(9H-carbazol-9-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2370920-87-7.gif)
CAS RN: 2370920-87-7
[1,1′-Biphenyl]-4-acetonitrile, 4′-(9H-carbazol-9-yl)-
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS2370920-87-7
- Purity/Analytical Methods: >99.0%
2370920-87-7 / 2-[4-(4-carbazol-9-ylphenyl)phenyl]acetonitrile
Basic Information
CAS
2370920-87-7
Multi CAS
No
Molecular Formula
C26H18N2
Molecular Weight
358.400000
Exact Mass
358.146999
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)CC#N
InChI
InChI=1S/C26H18N2/c27-18-17-19-9-11-20(12-10-19)21-13-15-22(16-14-21)28-25-7-3-1-5-23(25)24-6-2-4-8-26(24)28/h1-16H,17H2
InChIKey
IDMJDRNGJIWRII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
25
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
115.53
TPSA
28.72
LogP / Solubility
WLOGP
6.52
MLOGP
5.75
XLogP3
6.3
Consensus LogP
6.19
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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