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

C41H35N3 — CID 146384885

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

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146384885) has the molecular formula C41H35N3 and a molecular weight of 569.75 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146384885
• Molecular Formula: C41H35N3
• Molecular Weight: 569.75 g/mol
• Exact Mass: 569.28
• IUPAC Name: 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C=C/C=C(\C=C/C)c1nc(-c2ccccc2)nc(-c2ccc(C(C)(C)c3ccc(-c4cccc5ccccc45)cc3)cc2)n1
• InChI: InChI=1S/C41H35N3/c1-5-13-31(14-6-2)38-42-39(32-16-8-7-9-17-32)44-40(43-38)33-23-27-35(28-24-33)41(3,4)34-25-21-30(22-26-34)37-20-12-18-29-15-10-11-19-36(29)37/h5-28H,1H2,2-4H3/b14-6-,31-13+
• InChIKey: LRIBAOGDVIYKCJ-CZJJPZLOSA-N
• XLogP: 10.50
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.75
LogP ≤ 5	10.50
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 146384885) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine is C=C/C=C(\C=C/C)c1nc(-c2ccccc2)nc(-c2ccc(C(C)(C)c3ccc(-c4cccc5ccccc45)cc3)cc2)n1.

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

The InChIKey is LRIBAOGDVIYKCJ-CZJJPZLOSA-N. The full InChI is InChI=1S/C41H35N3/c1-5-13-31(14-6-2)38-42-39(32-16-8-7-9-17-32)44-40(43-38)33-23-27-35(28-24-33)41(3,4)34-25-21-30(22-26-34)37-20-12-18-29-15-10-11-19-36(29)37/h5-28H,1H2,2-4H3/b14-6-,31-13+.

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

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 569.75 g/mol, XLogP of 10.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).