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

C53H33N5 — CID 129265621

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

6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine (PubChem CID 129265621) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
• PubChem CID: 129265621
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)nc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)n3)cc2)cc1
• InChI: InChI=1S/C53H33N5/c1-2-14-34(15-3-1)35-28-30-36(31-29-35)51-56-52(39-18-12-16-37(32-39)49-45-24-6-4-20-41(45)43-22-8-10-26-47(43)54-49)58-53(57-51)40-19-13-17-38(33-40)50-46-25-7-5-21-42(46)44-23-9-11-27-48(44)55-50/h1-33H
• InChIKey: YYQBWZUFGIIOHG-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.28
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-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine?

The IUPAC name of 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine (CID 129265621) is 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine.

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

The canonical SMILES for 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)nc(-c4cccc(-c5nc6ccccc6c6ccccc56)c4)n3)cc2)cc1.

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

The InChIKey is YYQBWZUFGIIOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-2-14-34(15-3-1)35-28-30-36(31-29-35)51-56-52(39-18-12-16-37(32-39)49-45-24-6-4-20-41(45)43-22-8-10-26-47(43)54-49)58-53(57-51)40-19-13-17-38(33-40)50-46-25-7-5-21-42(46)44-23-9-11-27-48(44)55-50/h1-33H.

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

6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine has a molecular weight of 739.88 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine is sourced from PubChem (CID 129265621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).