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

C53H37N3 — CID 138548269

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

2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 138548269) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 138548269
• Molecular Formula: C53H37N3
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.30
• IUPAC Name: 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)c2ccccc2)cc1
• InChI: InChI=1S/C53H37N3/c1-6-16-42(17-7-1)49(43-18-8-2-9-19-43)50(44-20-10-3-11-21-44)45-34-30-40(31-35-45)38-26-28-39(29-27-38)41-32-36-48(37-33-41)53-55-51(46-22-12-4-13-23-46)54-52(56-53)47-24-14-5-15-25-47/h1-37H
• InChIKey: ROBKWLAPLSJNMO-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	13.21
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 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 138548269) is 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)c2ccccc2)cc1.

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

The InChIKey is ROBKWLAPLSJNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-6-16-42(17-7-1)49(43-18-8-2-9-19-43)50(44-20-10-3-11-21-44)45-34-30-40(31-35-45)38-26-28-39(29-27-38)41-32-36-48(37-33-41)53-55-51(46-22-12-4-13-23-46)54-52(56-53)47-24-14-5-15-25-47/h1-37H.

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

2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 715.90 g/mol, XLogP of 13.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 138548269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).