2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine

C53H43N3 — CID 130392473

About 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine

2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine (PubChem CID 130392473) has the molecular formula C53H43N3 and a molecular weight of 721.95 g/mol. Its IUPAC name is 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine
• PubChem CID: 130392473
• Molecular Formula: C53H43N3
• Molecular Weight: 721.95 g/mol
• Exact Mass: 721.35
• IUPAC Name: 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine
• SMILES: C=C(/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccc(C(C)(C)c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)cc2)n1)c1ccccc1
• InChI: InChI=1S/C53H43N3/c1-5-38(27-26-37(2)39-16-8-6-9-17-39)50-54-51(42-19-10-7-11-20-42)56-52(55-50)43-30-34-47(35-31-43)53(3,4)46-32-28-40(29-33-46)44-22-14-23-45(36-44)49-25-15-21-41-18-12-13-24-48(41)49/h5-36H,2H2,1,3-4H3/b27-26-,38-5+
• InChIKey: ARZTZFLFOCKEAC-LAURRWSASA-N
• XLogP: 13.69
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.95
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The IUPAC name of 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine (CID 130392473) is 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine is C=C(/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2ccc(C(C)(C)c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)cc2)n1)c1ccccc1.

What is the InChIKey of 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The InChIKey is ARZTZFLFOCKEAC-LAURRWSASA-N. The full InChI is InChI=1S/C53H43N3/c1-5-38(27-26-37(2)39-16-8-6-9-17-39)50-54-51(42-19-10-7-11-20-42)56-52(55-50)43-30-34-47(35-31-43)53(3,4)46-32-28-40(29-33-46)44-22-14-23-45(36-44)49-25-15-21-41-18-12-13-24-48(41)49/h5-36H,2H2,1,3-4H3/b27-26-,38-5+.

What are the key properties of 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine?

2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine has a molecular weight of 721.95 g/mol, XLogP of 13.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 130392473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).