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

C60H54N2 — CID 143295894

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

4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 143295894) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 143295894
• Molecular Formula: C60H54N2
• Molecular Weight: 803.11 g/mol
• Exact Mass: 802.43
• IUPAC Name: 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• SMILES: C/C=C\C(=C/C)c1ccc(NC/C=C\C(=C/Cc2ccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccccc2)cc1
• InChI: InChI=1S/C60H54N2/c1-3-15-47(4-2)52-29-37-57(38-30-52)61-45-14-22-51(48-16-8-5-9-17-48)26-23-46-24-27-53(28-25-46)56-35-43-60(44-36-56)62(58-39-31-54(32-40-58)49-18-10-6-11-19-49)59-41-33-55(34-42-59)50-20-12-7-13-21-50/h3-6,8-12,14-22,24-44,61H,7,13,23,45H2,1-2H3/b15-3-,22-14-,47-4+,51-26+
• InChIKey: RRWVLNWDGCEOIB-SOTOGLQHSA-N
• XLogP: 16.50
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.11
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	1
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 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 143295894) is 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

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

The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is C/C=C\C(=C/C)c1ccc(NC/C=C\C(=C/Cc2ccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccccc2)cc1.

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

The InChIKey is RRWVLNWDGCEOIB-SOTOGLQHSA-N. The full InChI is InChI=1S/C60H54N2/c1-3-15-47(4-2)52-29-37-57(38-30-52)61-45-14-22-51(48-16-8-5-9-17-48)26-23-46-24-27-53(28-25-46)56-35-43-60(44-36-56)62(58-39-31-54(32-40-58)49-18-10-6-11-19-49)59-41-33-55(34-42-59)50-20-12-7-13-21-50/h3-6,8-12,14-22,24-44,61H,7,13,23,45H2,1-2H3/b15-3-,22-14-,47-4+,51-26+.

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

4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 803.11 g/mol, XLogP of 16.50, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[(2E,4Z)-6-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]-3-phenylhexa-2,4-dienyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143295894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).