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

C45H29N5 — CID 176819149

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

6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine (PubChem CID 176819149) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
• PubChem CID: 176819149
• Molecular Formula: C45H29N5
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.24
• IUPAC Name: 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)nc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C45H29N5/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)44-48-43(32-14-5-2-6-15-32)49-45(50-44)35-17-11-16-34(28-35)36-26-27-41(46-29-36)42-39-20-8-7-18-37(39)38-19-9-10-21-40(38)47-42/h1-29H
• InChIKey: AOHQGAZPQAZLSV-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	10.97
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-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine (CID 176819149) is 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine.

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

The canonical SMILES for 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7ccccc67)nc5)c4)n3)cc2)cc1.

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

The InChIKey is AOHQGAZPQAZLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)44-48-43(32-14-5-2-6-15-32)49-45(50-44)35-17-11-16-34(28-35)36-26-27-41(46-29-36)42-39-20-8-7-18-37(39)38-19-9-10-21-40(38)47-42/h1-29H.

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

6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine has a molecular weight of 639.76 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).