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CAS 1354653-33-0 9,9-dimethyl-N-[4-(9-phenyl-9H-carbazole-3-yl)phenyl]-9H-fluoren-2-amine molecular structure lightbox
CAS RN: 1354653-33-0

9,9-dimethyl-N-[4-(9-phenyl-9H-carbazole-3-yl)phenyl]-9H-fluoren-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354653-33-0
  • Purity/Analytical Methods: >99.0%
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1354653-33-0 / 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

Standard CAS: 1354653-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354653-33-0
Multi CAS
No
Molecular Formula
C39H30N2
Molecular Weight
526.700000
Exact Mass
526.240899
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C
InChI
InChI=1S/C39H30N2/c1-39(2)35-14-8-6-12-31(35)32-22-21-29(25-36(32)39)40-28-19-16-26(17-20-28)27-18-23-38-34(24-27)33-13-7-9-15-37(33)41(38)30-10-4-3-5-11-30/h3-25,40H,1-2H3
InChIKey
CGFUVIXJVPZYTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
37
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
173.51
TPSA
16.96

LogP / Solubility

WLOGP
10.5
MLOGP
9.28
XLogP3
10.7
Consensus LogP
10.16
Log S (ESOL)
-10.12
Class (ESOL)
Insoluble
Log S (Ali)
-11.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.28
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)
1.52

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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