![CAS 2102919-66-2 3,9′-Bi-9H-carbazole, 9-[1,1′-biphenyl]-3-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102919-66-2.png)
CAS RN: 2102919-66-2
3,9′-Bi-9H-carbazole, 9-[1,1′-biphenyl]-3-yl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260618 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2102919-66-2
- Purity/Analytical Methods: >99.0%
2102919-66-2 / 3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
Basic Information
CAS
2102919-66-2
Multi CAS
No
Molecular Formula
C36H24N2
Molecular Weight
484.600000
Exact Mass
484.193949
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C83
InChI
InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-24H
InChIKey
PPQRPUFUVGSKPQ-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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