6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine

C39H25N5 — CID 176818956

About 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine

6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine (PubChem CID 176818956) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
• PubChem CID: 176818956
• Molecular Formula: C39H25N5
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.21
• IUPAC Name: 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)n3)cc2)cc1
• InChI: InChI=1S/C39H25N5/c1-3-11-26(12-4-1)27-19-21-29(22-20-27)38-42-37(28-13-5-2-6-14-28)43-39(44-38)30-23-24-35(40-25-30)36-33-17-8-7-15-31(33)32-16-9-10-18-34(32)41-36/h1-25H
• InChIKey: BOJLATQJJKWKDT-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine (CID 176818956) is 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine.

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

The canonical SMILES for 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)n3)cc2)cc1.

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

The InChIKey is BOJLATQJJKWKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-3-11-26(12-4-1)27-19-21-29(22-20-27)38-42-37(28-13-5-2-6-14-28)43-39(44-38)30-23-24-35(40-25-30)36-33-17-8-7-15-31(33)32-16-9-10-18-34(32)41-36/h1-25H.

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

6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine has a molecular weight of 563.66 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176818956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).