1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

C51H45N — CID 142356437

About 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole

1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (PubChem CID 142356437) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
• PubChem CID: 142356437
• Molecular Formula: C51H45N
• Molecular Weight: 671.93 g/mol
• Exact Mass: 671.36
• IUPAC Name: 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
• SMILES: CC1=CC=CC(C2C=CC=C(c3cccc(-c4ccccc4)c3)C2)C1.Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)ccc1C
• InChI: InChI=1S/C26H21N.C25H24/c1-18-9-3-4-10-21(18)24-17-20(16-15-19(24)2)27-25-13-7-5-11-22(25)23-12-6-8-14-26(23)27;1-19-8-5-11-21(16-19)23-13-7-15-25(18-23)24-14-6-12-22(17-24)20-9-3-2-4-10-20/h3-17H,1-2H3;2-15,17,21,23H,16,18H2,1H3
• InChIKey: QOVJWVQWYWKCMX-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.93
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?

The IUPAC name of 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole (CID 142356437) is 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole.

What is the SMILES notation for 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?

The canonical SMILES for 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is CC1=CC=CC(C2C=CC=C(c3cccc(-c4ccccc4)c3)C2)C1.Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)ccc1C.

What is the InChIKey of 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?

The InChIKey is QOVJWVQWYWKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N.C25H24/c1-18-9-3-4-10-21(18)24-17-20(16-15-19(24)2)27-25-13-7-5-11-22(25)23-12-6-8-14-26(23)27;1-19-8-5-11-21(16-19)23-13-7-15-25(18-23)24-14-6-12-22(17-24)20-9-3-2-4-10-20/h3-17H,1-2H3;2-15,17,21,23H,16,18H2,1H3.

What are the key properties of 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole?

1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole has a molecular weight of 671.93 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3-phenylbenzene;9-[4-methyl-3-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 142356437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).