N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine

C55H44N2 — CID 154972655

About N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine

N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine (PubChem CID 154972655) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine.

Molecular Properties

• Compound Name: N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine
• PubChem CID: 154972655
• Molecular Formula: C55H44N2
• Molecular Weight: 732.97 g/mol
• Exact Mass: 732.35
• IUPAC Name: N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine
• SMILES: C=C(/C=C\C=C/C)c1ccc2c(c1Nc1cccc(-c3cccc(C4=CCCC=C4)c3)c1)c1ccccc1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1
• InChI: InChI=1S/C55H44N2/c1-3-4-7-18-39(2)50-33-34-53-54(55(50)56-48-29-16-27-46(37-48)44-25-14-23-42(35-44)40-19-8-5-9-20-40)51-31-12-13-32-52(51)57(53)49-30-17-28-47(38-49)45-26-15-24-43(36-45)41-21-10-6-11-22-41/h3-4,6-8,10-38,56H,2,5,9H2,1H3/b4-3-,18-7-
• InChIKey: XWFAWUVAVBFQES-WBEPSJDQSA-N
• XLogP: 15.41
• TPSA: 16.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.97
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine?

The IUPAC name of N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine (CID 154972655) is N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine.

What is the SMILES notation for N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine?

The canonical SMILES for N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine is C=C(/C=C\C=C/C)c1ccc2c(c1Nc1cccc(-c3cccc(C4=CCCC=C4)c3)c1)c1ccccc1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1.

What is the InChIKey of N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine?

The InChIKey is XWFAWUVAVBFQES-WBEPSJDQSA-N. The full InChI is InChI=1S/C55H44N2/c1-3-4-7-18-39(2)50-33-34-53-54(55(50)56-48-29-16-27-46(37-48)44-25-14-23-42(35-44)40-19-8-5-9-20-40)51-31-12-13-32-52(51)57(53)49-30-17-28-47(38-49)45-26-15-24-43(36-45)41-21-10-6-11-22-41/h3-4,6-8,10-38,56H,2,5,9H2,1H3/b4-3-,18-7-.

What are the key properties of N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine?

N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine has a molecular weight of 732.97 g/mol, XLogP of 15.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine is sourced from PubChem (CID 154972655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).