9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole

C24H19N — CID 129111739

IUPAC9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-11,13-17,20H,12H2
InChIKeyANIGXVMPJNALPC-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.52
Rot. Bonds2

About 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole

9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole (PubChem CID 129111739) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
PubChem CID129111739
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-11,13-17,20H,12H2
InChIKeyANIGXVMPJNALPC-UHFFFAOYSA-N
XLogP6.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole (CID 129111739) is 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole is C1=CCC(n2c3ccccc3c3cc(-c4ccccc4)ccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole?
The InChIKey is ANIGXVMPJNALPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-3-9-18(10-4-1)19-15-16-24-22(17-19)21-13-7-8-14-23(21)25(24)20-11-5-2-6-12-20/h1-11,13-17,20H,12H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole?
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole has a molecular weight of 321.42 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole is sourced from PubChem (CID 129111739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).