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CAS 918137-84-5 3,3′-Bi-9H-carbazole,6-bromo-9,9′-diphenyl molecular structure lightbox
CAS RN: 918137-84-5

3,3′-Bi-9H-carbazole,6-bromo-9,9′-diphenyl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS918137-84-5
  • Purity/Analytical Methods: >99.0%
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918137-84-5 / 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

Standard CAS: 918137-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918137-84-5
Multi CAS
No
Molecular Formula
BC36H23Rn2
Molecular Weight
563.500000
Exact Mass
562.104460
InChI
InChI=1S/C36H23BrN2/c37-26-17-20-36-32(23-26)31-22-25(16-19-35(31)39(36)28-11-5-2-6-12-28)24-15-18-34-30(21-24)29-13-7-8-14-33(29)38(34)27-9-3-1-4-10-27/h1-23H
InChIKey
LCJYRCMTHQJILZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
168.26
TPSA
9.86

LogP / Solubility

WLOGP
10.31
MLOGP
9.12
XLogP3
10.4
Consensus LogP
9.94
Log S (ESOL)
-10.35
Class (ESOL)
Insoluble
Log S (Ali)
-11.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.24
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)
1.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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