5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine

C67H62N2 — CID 134257149

About 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine

5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 134257149) has the molecular formula C67H62N2 and a molecular weight of 895.25 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

• Compound Name: 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
• PubChem CID: 134257149
• Molecular Formula: C67H62N2
• Molecular Weight: 895.25 g/mol
• Exact Mass: 894.49
• IUPAC Name: 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine
• SMILES: C/C=C\C=C/Cc1ccc(N(c2ccc(C(/C=C\C)=C/C)cc2)c2ccccc2C2=CC=C(c3ccccc3N(C3=CCC=C(C4=CCCC=C4)C=C3)c3ccc(-c4ccccc4)cc3)CC2)cc1
• InChI: InChI=1S/C67H62N2/c1-4-7-8-11-22-51-33-44-61(45-34-51)69(63-47-40-56(41-48-63)52(6-3)21-5-2)67-32-19-17-30-65(67)59-37-35-58(36-38-59)64-29-16-18-31-66(64)68(62-49-42-57(43-50-62)54-25-14-10-15-26-54)60-28-20-27-55(39-46-60)53-23-12-9-13-24-53/h4-8,10-12,14-19,21,23-35,37,39-50H,9,13,20,22,36,38H2,1-3H3/b7-4-,11-8-,21-5-,52-6+
• InChIKey: OUHYSZYZZSRKMJ-DTGMSIQDSA-N
• XLogP: 18.92
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.25
LogP ≤ 5	18.92
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-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?

The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine (CID 134257149) is 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine.

What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?

The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine is C/C=C\C=C/Cc1ccc(N(c2ccc(C(/C=C\C)=C/C)cc2)c2ccccc2C2=CC=C(c3ccccc3N(C3=CCC=C(C4=CCCC=C4)C=C3)c3ccc(-c4ccccc4)cc3)CC2)cc1.

What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?

The InChIKey is OUHYSZYZZSRKMJ-DTGMSIQDSA-N. The full InChI is InChI=1S/C67H62N2/c1-4-7-8-11-22-51-33-44-61(45-34-51)69(63-47-40-56(41-48-63)52(6-3)21-5-2)67-32-19-17-30-65(67)59-37-35-58(36-38-59)64-29-16-18-31-66(64)68(62-49-42-57(43-50-62)54-25-14-10-15-26-54)60-28-20-27-55(39-46-60)53-23-12-9-13-24-53/h4-8,10-12,14-19,21,23-35,37,39-50H,9,13,20,22,36,38H2,1-3H3/b7-4-,11-8-,21-5-,52-6+.

What are the key properties of 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine?

5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 895.25 g/mol, XLogP of 18.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexa-1,5-dien-1-yl-N-[2-[4-[2-[4-[(2Z,4Z)-hexa-2,4-dienyl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]anilino]phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-N-(4-phenylphenyl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 134257149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).