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

C45H31N3 — CID 122606669

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

2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 122606669) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 122606669
• Molecular Formula: C45H31N3
• Molecular Weight: 613.76 g/mol
• Exact Mass: 613.25
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)c2)cc1
• InChI: InChI=1S/C45H31N3/c1-4-14-32(15-5-1)35-20-10-22-37(28-35)38-23-11-24-39(29-38)40-25-13-27-42(31-40)45-47-43(34-18-8-3-9-19-34)46-44(48-45)41-26-12-21-36(30-41)33-16-6-2-7-17-33/h1-31H
• InChIKey: ZMWDBPIIXGOZDT-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.76
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 122606669) is 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)c2)cc1.

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

The InChIKey is ZMWDBPIIXGOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-4-14-32(15-5-1)35-20-10-22-37(28-35)38-23-11-24-39(29-38)40-25-13-27-42(31-40)45-47-43(34-18-8-3-9-19-34)46-44(48-45)41-26-12-21-36(30-41)33-16-6-2-7-17-33/h1-31H.

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

2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 613.76 g/mol, XLogP of 11.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 122606669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).