9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole

C46H37N — CID 143136479

About 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole

9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole (PubChem CID 143136479) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole
• PubChem CID: 143136479
• Molecular Formula: C46H37N
• Molecular Weight: 603.81 g/mol
• Exact Mass: 603.29
• IUPAC Name: 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole
• SMILES: C/C=C(\C=C/Cc1ccc2cc(-c3cc(C4=CCCC=C4)cc(-c4ccccc4)c3)ccc2c1)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C46H37N/c1-2-42(47-45-22-11-9-20-43(45)44-21-10-12-23-46(44)47)19-13-14-33-24-25-37-29-38(27-26-36(37)28-33)41-31-39(34-15-5-3-6-16-34)30-40(32-41)35-17-7-4-8-18-35/h2-3,5-7,9-13,15-32H,4,8,14H2,1H3/b19-13-,42-2+
• InChIKey: MYQAMSONUOKJAW-AQOKYBRFSA-N
• XLogP: 12.67
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.81
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole?

The IUPAC name of 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole (CID 143136479) is 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole.

What is the SMILES notation for 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole?

The canonical SMILES for 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole is C/C=C(\C=C/Cc1ccc2cc(-c3cc(C4=CCCC=C4)cc(-c4ccccc4)c3)ccc2c1)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole?

The InChIKey is MYQAMSONUOKJAW-AQOKYBRFSA-N. The full InChI is InChI=1S/C46H37N/c1-2-42(47-45-22-11-9-20-43(45)44-21-10-12-23-46(44)47)19-13-14-33-24-25-37-29-38(27-26-36(37)28-33)41-31-39(34-15-5-3-6-16-34)30-40(32-41)35-17-7-4-8-18-35/h2-3,5-7,9-13,15-32H,4,8,14H2,1H3/b19-13-,42-2+.

What are the key properties of 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole?

9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole has a molecular weight of 603.81 g/mol, XLogP of 12.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2E,4Z)-6-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)naphthalen-2-yl]hexa-2,4-dien-3-yl]carbazole is sourced from PubChem (CID 143136479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).