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

C66H52N2 — CID 167073633

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

2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 167073633) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

• Compound Name: 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline
• PubChem CID: 167073633
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline
• SMILES: C=C/C(=C\C=C\c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc(C2C=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)=CC2)cc1
• InChI: InChI=1S/C66H52N2/c1-2-60(30-18-21-50-19-8-3-9-20-50)67(61-40-31-54(32-41-61)51-22-10-4-11-23-51)62-42-33-56(34-43-62)57-37-46-64(47-38-57)68(63-44-35-55(36-45-63)52-24-12-5-13-25-52)66-48-39-59(53-26-14-6-15-27-53)49-65(66)58-28-16-7-17-29-58/h2-37,39-49,57H,1,38H2/b21-18+,60-30+
• InChIKey: QKBVKFCZRUZWFI-USTQSDOLSA-N
• XLogP: 18.04
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	18.04
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 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline?

The IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline (CID 167073633) is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline.

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

The canonical SMILES for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline is C=C/C(=C\C=C\c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc(C2C=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)=CC2)cc1.

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

The InChIKey is QKBVKFCZRUZWFI-USTQSDOLSA-N. The full InChI is InChI=1S/C66H52N2/c1-2-60(30-18-21-50-19-8-3-9-20-50)67(61-40-31-54(32-41-61)51-22-10-4-11-23-51)62-42-33-56(34-43-62)57-37-46-64(47-38-57)68(63-44-35-55(36-45-63)52-24-12-5-13-25-52)66-48-39-59(53-26-14-6-15-27-53)49-65(66)58-28-16-7-17-29-58/h2-37,39-49,57H,1,38H2/b21-18+,60-30+.

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

2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 873.16 g/mol, XLogP of 18.04, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 167073633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).