3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole

C25H21N — CID 71176031

IUPAC3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc(C3C=CC=CC3)ccc21
InChIInChI=1S/C25H21N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19/h2-10,12-17,19H,11H2,1H3
InChIKeyZAYBHNCXSFHVBA-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.60
Rot. Bonds2

About 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole

3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole (PubChem CID 71176031) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
PubChem CID71176031
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc(C3C=CC=CC3)ccc21
InChIInChI=1S/C25H21N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19/h2-10,12-17,19H,11H2,1H3
InChIKeyZAYBHNCXSFHVBA-UHFFFAOYSA-N
XLogP6.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
CID 126620697
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole (CID 71176031) is 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole is Cn1c2ccc(-c3ccccc3)cc2c2cc(C3C=CC=CC3)ccc21.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole?
The InChIKey is ZAYBHNCXSFHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19/h2-10,12-17,19H,11H2,1H3.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole?
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole has a molecular weight of 335.45 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole is sourced from PubChem (CID 71176031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).