6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine

C68H43N5 — CID 155249349

About 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine

6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine (PubChem CID 155249349) has the molecular formula C68H43N5 and a molecular weight of 930.13 g/mol. Its IUPAC name is 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
• PubChem CID: 155249349
• Molecular Formula: C68H43N5
• Molecular Weight: 930.13 g/mol
• Exact Mass: 929.35
• IUPAC Name: 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C68H43N5/c1-3-14-44(15-4-1)46-26-32-51(33-27-46)66-70-67(52-34-28-47(29-35-52)45-16-5-2-6-17-45)72-68(71-66)53-36-30-50(31-37-53)64-60-43-40-48-18-7-8-19-55(48)63(60)59-23-13-22-56(65(59)69-64)49-38-41-54(42-39-49)73-61-24-11-9-20-57(61)58-21-10-12-25-62(58)73/h1-43H
• InChIKey: FNQUYTFEOYEQCJ-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.13
LogP ≤ 5	17.49
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-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine?

The IUPAC name of 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine (CID 155249349) is 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine.

What is the SMILES notation for 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine?

The canonical SMILES for 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5nc6c(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cccc6c6c5ccc5ccccc56)cc4)n3)cc2)cc1.

What is the InChIKey of 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine?

The InChIKey is FNQUYTFEOYEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N5/c1-3-14-44(15-4-1)46-26-32-51(33-27-46)66-70-67(52-34-28-47(29-35-52)45-16-5-2-6-17-45)72-68(71-66)53-36-30-50(31-37-53)64-60-43-40-48-18-7-8-19-55(48)63(60)59-23-13-22-56(65(59)69-64)49-38-41-54(42-39-49)73-61-24-11-9-20-57(61)58-21-10-12-25-62(58)73/h1-43H.

What are the key properties of 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine?

6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine has a molecular weight of 930.13 g/mol, XLogP of 17.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 155249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).