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

C58H37N5 — CID 146549877

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

10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine (PubChem CID 146549877) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine.

Molecular Properties

• Compound Name: 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
• PubChem CID: 146549877
• Molecular Formula: C58H37N5
• Molecular Weight: 803.97 g/mol
• Exact Mass: 803.30
• IUPAC Name: 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)nc7ccccc7c56)cc4)c3)n2)cc1
• InChI: InChI=1S/C58H37N5/c1-3-15-40(16-4-1)55-50-25-14-24-46(54(50)49-23-7-10-26-51(49)59-55)39-31-29-38(30-32-39)43-19-13-20-44(37-43)58-61-56(41-17-5-2-6-18-41)60-57(62-58)42-33-35-45(36-34-42)63-52-27-11-8-21-47(52)48-22-9-12-28-53(48)63/h1-37H
• InChIKey: WWLUCIVJGSFYDC-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.97
LogP ≤ 5	14.67
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 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine?

The IUPAC name of 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine (CID 146549877) is 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine.

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

The canonical SMILES for 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)nc7ccccc7c56)cc4)c3)n2)cc1.

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

The InChIKey is WWLUCIVJGSFYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c1-3-15-40(16-4-1)55-50-25-14-24-46(54(50)49-23-7-10-26-51(49)59-55)39-31-29-38(30-32-39)43-19-13-20-44(37-43)58-61-56(41-17-5-2-6-18-41)60-57(62-58)42-33-35-45(36-34-42)63-52-27-11-8-21-47(52)48-22-9-12-28-53(48)63/h1-37H.

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

10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine has a molecular weight of 803.97 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine is sourced from PubChem (CID 146549877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).