CAS RN: 1182844-38-7
OC1077, 3,3′-(9,9-dimethyl-9H-fluorene-2,7-diyl)bis(9-phenyl-9H-carbazole)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1182844-38-7
- Purity/Analytical Methods: >99.0%
1182844-38-7 / 3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole
3,3'-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis(9-phenyl-9H-carbazole) | 3,3'-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis[9-phenyl-9H-carbazole] | SCHEMBL12306534
Basic Information
CAS
1182844-38-7
Multi CAS
No
Molecular Formula
C51H36N2
Molecular Weight
676.800000
Exact Mass
676.287849
SMILES
CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)C7=C1C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C
InChI
InChI=1S/C51H36N2/c1-51(2)45-31-35(33-23-27-49-43(29-33)41-17-9-11-19-47(41)52(49)37-13-5-3-6-14-37)21-25-39(45)40-26-22-36(32-46(40)51)34-24-28-50-44(30-34)42-18-10-12-20-48(42)53(50)38-15-7-4-8-16-38/h3-32H,1-2H3
InChIKey
DJWGAIFXUZSFHJ-UHFFFAOYSA-N
Synonyms
3,3'-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis(9-phenyl-9H-carbazole)
3,3'-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis[9-phenyl-9H-carbazole]
SCHEMBL12306534
MFCD34563563
G69111
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
50
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
223.56
TPSA
9.86
LogP / Solubility
WLOGP
13.52
MLOGP
11.96
XLogP3
13.8
Consensus LogP
13.09
Log S (ESOL)
-12.99
Class (ESOL)
Insoluble
Log S (Ali)
-14.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.76
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)
2.75
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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