9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole

C37H28N2 — CID 146541574

About 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole

9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole (PubChem CID 146541574) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
• PubChem CID: 146541574
• Molecular Formula: C37H28N2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.23
• IUPAC Name: 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
• SMILES: C=C(/C=C\C=C(/C)c1cccc(-n2c3ccccc3c3ccccc32)c1)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C37H28N2/c1-26(13-11-14-27(2)38-34-21-7-3-17-30(34)31-18-4-8-22-35(31)38)28-15-12-16-29(25-28)39-36-23-9-5-19-32(36)33-20-6-10-24-37(33)39/h3-25H,2H2,1H3/b14-11-,26-13+
• InChIKey: FLUWCZRZMBJDJV-GSNOXSHMSA-N
• XLogP: 10.02
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	0
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 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole (CID 146541574) is 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole is C=C(/C=C\C=C(/C)c1cccc(-n2c3ccccc3c3ccccc32)c1)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole?

The InChIKey is FLUWCZRZMBJDJV-GSNOXSHMSA-N. The full InChI is InChI=1S/C37H28N2/c1-26(13-11-14-27(2)38-34-21-7-3-17-30(34)31-18-4-8-22-35(31)38)28-15-12-16-29(25-28)39-36-23-9-5-19-32(36)33-20-6-10-24-37(33)39/h3-25H,2H2,1H3/b14-11-,26-13+.

What are the key properties of 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole?

9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole has a molecular weight of 500.65 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole is sourced from PubChem (CID 146541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).