3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole

C39H31N — CID 118488392

IUPAC3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c3)c2)cc1
InChIInChI=1S/C39H31N/c1-26-10-14-29(15-11-26)31-6-4-8-33(24-31)34-9-5-7-32(25-34)30-16-18-35(19-17-30)40-38-20-12-27(2)22-36(38)37-23-28(3)13-21-39(37)40/h4-25H,1-3H3
InChIKeyKMCPOEALZIIHQK-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.71
Rot. Bonds4

About 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole

3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 118488392) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID118488392
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c3)c2)cc1
InChIInChI=1S/C39H31N/c1-26-10-14-29(15-11-26)31-6-4-8-33(24-31)34-9-5-7-32(25-34)30-16-18-35(19-17-30)40-38-20-12-27(2)22-36(38)37-23-28(3)13-21-39(37)40/h4-25H,1-3H3
InChIKeyKMCPOEALZIIHQK-UHFFFAOYSA-N
XLogP10.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole 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

3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole (CID 118488392) is 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole is Cc1ccc(-c2cccc(-c3cccc(-c4ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)cc4)c3)c2)cc1.
What is the InChIKey of 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is KMCPOEALZIIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-26-10-14-29(15-11-26)31-6-4-8-33(24-31)34-9-5-7-32(25-34)30-16-18-35(19-17-30)40-38-20-12-27(2)22-36(38)37-23-28(3)13-21-39(37)40/h4-25H,1-3H3.
What are the key properties of 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole?
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 513.68 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 118488392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).