2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine

C52H33N5 — CID 146549083

About 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine

2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine (PubChem CID 146549083) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine.

Molecular Properties

• Compound Name: 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
• PubChem CID: 146549083
• Molecular Formula: C52H33N5
• Molecular Weight: 727.87 g/mol
• Exact Mass: 727.27
• IUPAC Name: 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4nc(-c5ccccc5)c5cccc(-c6ccccc6)c5c4c3)n2)cc1
• InChI: InChI=1S/C52H33N5/c1-4-15-34(16-5-1)40-23-14-24-43-48(40)44-33-38(29-32-45(44)53-49(43)35-17-6-2-7-18-35)52-55-50(36-19-8-3-9-20-36)54-51(56-52)37-27-30-39(31-28-37)57-46-25-12-10-21-41(46)42-22-11-13-26-47(42)57/h1-33H
• InChIKey: HFAMEICXUBSRIB-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.87
LogP ≤ 5	13.01
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 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?

The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine (CID 146549083) is 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine.

What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?

The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4nc(-c5ccccc5)c5cccc(-c6ccccc6)c5c4c3)n2)cc1.

What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?

The InChIKey is HFAMEICXUBSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-15-34(16-5-1)40-23-14-24-43-48(40)44-33-38(29-32-45(44)53-49(43)35-17-6-2-7-18-35)52-55-50(36-19-8-3-9-20-36)54-51(56-52)37-27-30-39(31-28-37)57-46-25-12-10-21-41(46)42-22-11-13-26-47(42)57/h1-33H.

What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?

2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine has a molecular weight of 727.87 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).