2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C38H24N4 — CID 130263855

About 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 130263855) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• PubChem CID: 130263855
• Molecular Formula: C38H24N4
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.20
• IUPAC Name: 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1
• InChI: InChI=1S/C38H24N4/c1-2-10-27(11-3-1)36-40-37(28-19-16-25(17-20-28)30-12-8-22-39-24-30)42-38(41-36)34-23-29-21-18-26-9-4-5-13-31(26)35(29)33-15-7-6-14-32(33)34/h1-24H
• InChIKey: UDGQZFTZQKFBTD-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 130263855) is 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1.

What is the InChIKey of 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The InChIKey is UDGQZFTZQKFBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-10-27(11-3-1)36-40-37(28-19-16-25(17-20-28)30-12-8-22-39-24-30)42-38(41-36)34-23-29-21-18-26-9-4-5-13-31(26)35(29)33-15-7-6-14-32(33)34/h1-24H.

What are the key properties of 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130263855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).