9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole

C49H38N2 — CID 167285063

About 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole

9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole (PubChem CID 167285063) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 167285063
• Molecular Formula: C49H38N2
• Molecular Weight: 654.86 g/mol
• Exact Mass: 654.30
• IUPAC Name: 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
• SMILES: CC1C=Cc2c(c3ccccc3n2C2=CC=CCC2c2ccccc2-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)C1
• InChI: InChI=1S/C49H38N2/c1-33-30-31-49-43(32-33)42-24-10-15-29-48(42)51(49)45-26-12-7-21-39(45)37-19-5-3-17-35(37)34-16-2-4-18-36(34)38-20-6-11-25-44(38)50-46-27-13-8-22-40(46)41-23-9-14-28-47(41)50/h2-20,22-31,33,39H,21,32H2,1H3
• InChIKey: RGGFOGBWOISJMZ-UHFFFAOYSA-N
• XLogP: 12.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.86
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole (CID 167285063) is 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole is CC1C=Cc2c(c3ccccc3n2C2=CC=CCC2c2ccccc2-c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)C1.

What is the InChIKey of 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is RGGFOGBWOISJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-33-30-31-49-43(32-33)42-24-10-15-29-48(42)51(49)45-26-12-7-21-39(45)37-19-5-3-17-35(37)34-16-2-4-18-36(34)38-20-6-11-25-44(38)50-46-27-13-8-22-40(46)41-23-9-14-28-47(41)50/h2-20,22-31,33,39H,21,32H2,1H3.

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

9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 654.86 g/mol, XLogP of 12.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 167285063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).