3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole

C25H21N — CID 144661384

IUPAC3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
SMILESCc1ccc(C2=CCC3C(=C2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C25H21N/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h2-15,17,25H,16H2,1H3
InChIKeyGGRJNGDWNDKMKL-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.39
Rot. Bonds2

About 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole

3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole (PubChem CID 144661384) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
PubChem CID144661384
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
SMILESCc1ccc(C2=CCC3C(=C2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C25H21N/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h2-15,17,25H,16H2,1H3
InChIKeyGGRJNGDWNDKMKL-UHFFFAOYSA-N
XLogP6.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole 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-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
CID 144632066
4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole
CID 130453266
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-[(3E,5Z)-octa-3,5-dien-7-yn-4-yl]-1,9a-dihydrocarbazole;1-methyl-4-(4-phenylphenyl)benzene
CID 144661430
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
CID 142505029
7,7-dimethyl-5-phenyl-2-(6,8,9-triphenyl-1,9a-dihydrocarbazol-3-yl)indeno[2,1-b]carbazole
CID 123953451
9-[4-[2-[4-(7,8-dihydrobenzo[b][1]benzoborol-5-yl)phenyl]ethenyl]cyclohexa-1,5-dien-1-yl]-3,6-diphenyl-1,9a-dihydrocarbazole
CID 90941207
3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
CID 145108670
10-[4-[5-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5a,6-dihydroindeno[1,2-b]indol-8-yl]phenyl]phenothiazine
CID 137397008
1,3-diphenyl-2-(4-phenylphenyl)-2H-quinazolin-4-one
CID 11719397
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
9-[4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-1,9a-dihydrocarbazole
CID 143136477

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole?
The IUPAC name of 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole (CID 144661384) is 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole.
What is the SMILES notation for 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole?
The canonical SMILES for 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole is Cc1ccc(C2=CCC3C(=C2)c2ccccc2N3c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole?
The InChIKey is GGRJNGDWNDKMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-18-11-13-19(14-12-18)20-15-16-25-23(17-20)22-9-5-6-10-24(22)26(25)21-7-3-2-4-8-21/h2-15,17,25H,16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole?
3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole has a molecular weight of 335.45 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole is sourced from PubChem (CID 144661384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).