9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole

C56H43N3 — CID 143267302

About 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole

9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole (PubChem CID 143267302) has the molecular formula C56H43N3 and a molecular weight of 757.98 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole
• PubChem CID: 143267302
• Molecular Formula: C56H43N3
• Molecular Weight: 757.98 g/mol
• Exact Mass: 757.35
• IUPAC Name: 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole
• SMILES: C=C(/C=C(\C=C(/CCC)c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c3ccccc3c3ccccc32)cc1)c1ccccc1)c1ccccn1
• InChI: InChI=1S/C56H43N3/c1-3-17-43(37-44(40-18-5-4-6-19-40)36-39(2)51-24-15-16-35-57-51)41-29-31-42(32-30-41)50-38-45(58-52-25-11-7-20-46(52)47-21-8-12-26-53(47)58)33-34-56(50)59-54-27-13-9-22-48(54)49-23-10-14-28-55(49)59/h4-16,18-38H,2-3,17H2,1H3/b43-37+,44-36+
• InChIKey: QTDQCEUEUQMLPR-UNGXXEEXSA-N
• XLogP: 14.92
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.98
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole (CID 143267302) is 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole is C=C(/C=C(\C=C(/CCC)c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c3ccccc3c3ccccc32)cc1)c1ccccc1)c1ccccn1.

What is the InChIKey of 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole?

The InChIKey is QTDQCEUEUQMLPR-UNGXXEEXSA-N. The full InChI is InChI=1S/C56H43N3/c1-3-17-43(37-44(40-18-5-4-6-19-40)36-39(2)51-24-15-16-35-57-51)41-29-31-42(32-30-41)50-38-45(58-52-25-11-7-20-46(52)47-21-8-12-26-53(47)58)33-34-56(50)59-54-27-13-9-22-48(54)49-23-10-14-28-55(49)59/h4-16,18-38H,2-3,17H2,1H3/b43-37+,44-36+.

What are the key properties of 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole?

9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole has a molecular weight of 757.98 g/mol, XLogP of 14.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-2-[4-[(4E,6E)-6-phenyl-8-pyridin-2-ylnona-4,6,8-trien-4-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 143267302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).