N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline

C128H113N3 — CID 160551256

About N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline

N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline (PubChem CID 160551256) has the molecular formula C128H113N3 and a molecular weight of 1693.33 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline
• PubChem CID: 160551256
• Molecular Formula: C128H113N3
• Molecular Weight: 1693.33 g/mol
• Exact Mass: 1691.89
• IUPAC Name: N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline
• SMILES: C/C=C\C=C(/C)N(C1=CCC(c2ccccc2)C=C1)c1ccc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1.C1=CCCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc(-c3cccc(-c4ccccc4)c3)c(-c3ccccc3)c2)=C1.C=C/C=C\C=C\C(C=C)C/C=C/N(/C(C)=C/C=C\C)c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccccc2)c1
• InChI: InChI=1S/C44H41N.C42H35N.C42H37N/c1-5-8-10-12-21-35(7-3)22-19-31-45(34(4)20-9-6-2)38-29-30-42(43(33-38)36-23-13-11-14-24-36)44-32-37-25-15-16-26-39(37)40-27-17-18-28-41(40)44;1-5-14-32(15-6-1)34-24-26-39(27-25-34)43(38-22-11-4-12-23-38)40-28-29-41(42(31-40)35-18-9-3-10-19-35)37-21-13-20-36(30-37)33-16-7-2-8-17-33;1-3-4-14-32(2)43(39-27-25-36(26-28-39)34-17-10-6-11-18-34)40-29-30-41(42(31-40)37-19-12-7-13-20-37)38-23-21-35(22-24-38)33-15-8-5-9-16-33/h5-21,23-33,35H,1,3,22H2,2,4H3;1-11,13-22,24,26-31,34H,12,23,25H2;3-25,27-31,36H,26H2,1-2H3/b9-6-,10-8-,21-12+,31-19+,34-20+;;4-3-,32-14+
• InChIKey: QYCGYBOSQBIIAM-NZZXYMPHSA-N
• XLogP: 35.57
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1693.33
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline?

The IUPAC name of N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline (CID 160551256) is N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline is C/C=C\C=C(/C)N(C1=CCC(c2ccccc2)C=C1)c1ccc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1.C1=CCCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc(-c3cccc(-c4ccccc4)c3)c(-c3ccccc3)c2)=C1.C=C/C=C\C=C\C(C=C)C/C=C/N(/C(C)=C/C=C\C)c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccccc2)c1.

What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline?

The InChIKey is QYCGYBOSQBIIAM-NZZXYMPHSA-N. The full InChI is InChI=1S/C44H41N.C42H35N.C42H37N/c1-5-8-10-12-21-35(7-3)22-19-31-45(34(4)20-9-6-2)38-29-30-42(43(33-38)36-23-13-11-14-24-36)44-32-37-25-15-16-26-39(37)40-27-17-18-28-41(40)44;1-5-14-32(15-6-1)34-24-26-39(27-25-34)43(38-22-11-4-12-23-38)40-28-29-41(42(31-40)35-18-9-3-10-19-35)37-21-13-20-36(30-37)33-16-7-2-8-17-33;1-3-4-14-32(2)43(39-27-25-36(26-28-39)34-17-10-6-11-18-34)40-29-30-41(42(31-40)37-19-12-7-13-20-37)38-23-21-35(22-24-38)33-15-8-5-9-16-33/h5-21,23-33,35H,1,3,22H2,2,4H3;1-11,13-22,24,26-31,34H,12,23,25H2;3-25,27-31,36H,26H2,1-2H3/b9-6-,10-8-,21-12+,31-19+,34-20+;;4-3-,32-14+.

What are the key properties of N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline?

N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline has a molecular weight of 1693.33 g/mol, XLogP of 35.57, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-1,3-dien-1-yl-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(3-phenylphenyl)aniline;N-[(1E,5E,7Z)-4-ethenyldeca-1,5,7,9-tetraenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-phenanthren-9-yl-3-phenylaniline;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 160551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).