2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine

C55H37N3 — CID 155174865

About 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 155174865) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 155174865
• Molecular Formula: C55H37N3
• Molecular Weight: 739.92 g/mol
• Exact Mass: 739.30
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)c2)c2ccccc2)cc1
• InChI: InChI=1S/C55H37N3/c1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)52(41-23-9-3-10-24-41)45-29-17-28-44(37-45)47-34-35-50(49-31-16-15-30-48(47)49)55-57-53(42-25-11-4-12-26-42)56-54(58-55)46-33-32-38-18-13-14-27-43(38)36-46/h1-37H
• InChIKey: XBSJRNQMXDYZFC-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.92
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine (CID 155174865) is 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)c2)c2ccccc2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is XBSJRNQMXDYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-5-19-39(20-6-1)51(40-21-7-2-8-22-40)52(41-23-9-3-10-24-41)45-29-17-28-44(37-45)47-34-35-50(49-31-16-15-30-48(47)49)55-57-53(42-25-11-4-12-26-42)56-54(58-55)46-33-32-38-18-13-14-27-43(38)36-46/h1-37H.

What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine?

2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 739.92 g/mol, XLogP of 13.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-phenyl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155174865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).