5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole

C36H27NO — CID 130453288

About 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 130453288) has the molecular formula C36H27NO and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 130453288
• Molecular Formula: C36H27NO
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.21
• IUPAC Name: 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: C/C=C\C=C(/C)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
• InChI: InChI=1S/C36H27NO/c1-3-4-12-24(2)26-21-27(25-13-6-5-7-14-25)23-28(22-26)37-32-17-10-8-16-31(32)35-33(37)20-19-30-29-15-9-11-18-34(29)38-36(30)35/h3-23H,1-2H3/b4-3-,24-12+
• InChIKey: OJXBXDLDRFKGPP-RDUDXPPGSA-N
• XLogP: 10.33
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	10.33
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 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole (CID 130453288) is 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole is C/C=C\C=C(/C)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.

What is the InChIKey of 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is OJXBXDLDRFKGPP-RDUDXPPGSA-N. The full InChI is InChI=1S/C36H27NO/c1-3-4-12-24(2)26-21-27(25-13-6-5-7-14-25)23-28(22-26)37-32-17-10-8-16-31(32)35-33(37)20-19-30-29-15-9-11-18-34(29)38-36(30)35/h3-23H,1-2H3/b4-3-,24-12+.

What are the key properties of 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole?

5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 489.62 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 130453288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).