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CAS 866119-24-6 9H-Carbazol-3-amine, N-(9,9-diphenyl-9H-fluoren-2-yl)-N,9-diphenyl- molecular structure lightbox
CAS RN: 866119-24-6

9H-Carbazol-3-amine, N-(9,9-diphenyl-9H-fluoren-2-yl)-N,9-diphenyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS866119-24-6
  • Purity/Analytical Methods: >99.0%
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866119-24-6 / N-(9,9-diphenylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine

Standard CAS: 866119-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866119-24-6
Multi CAS
No
Molecular Formula
C49H34N2
Molecular Weight
650.800000
Exact Mass
650.272199
InChI
InChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)45-27-15-13-25-41(45)42-31-29-40(34-46(42)49)50(37-21-9-3-10-22-37)39-30-32-48-44(33-39)43-26-14-16-28-47(43)51(48)38-23-11-4-12-24-38/h1-34H
InChIKey
UOCRABQXNUSPDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
49
Fraction Csp3
0.02
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
212.77
TPSA
8.17

LogP / Solubility

WLOGP
12.62
MLOGP
11.16
XLogP3
13
Consensus LogP
12.26
Log S (ESOL)
-12.14
Class (ESOL)
Insoluble
Log S (Ali)
-14.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.08
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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