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

C56H36N4 — CID 148557011

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

6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine (PubChem CID 148557011) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
• PubChem CID: 148557011
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6nc7c8ccccc8ccc7c7ccccc67)cc5)c4)n3)cc2)cc1
• InChI: InChI=1S/C56H36N4/c1-3-12-37(13-4-1)39-24-30-44(31-25-39)54-58-55(45-32-26-40(27-33-45)38-14-5-2-6-15-38)60-56(59-54)47-18-11-17-46(36-47)41-22-28-43(29-23-41)52-50-21-10-9-20-49(50)51-35-34-42-16-7-8-19-48(42)53(51)57-52/h1-36H
• InChIKey: MUGLETKTMAFSMI-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine?

The IUPAC name of 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine (CID 148557011) is 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine.

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

The canonical SMILES for 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6nc7c8ccccc8ccc7c7ccccc67)cc5)c4)n3)cc2)cc1.

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

The InChIKey is MUGLETKTMAFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-12-37(13-4-1)39-24-30-44(31-25-39)54-58-55(45-32-26-40(27-33-45)38-14-5-2-6-15-38)60-56(59-54)47-18-11-17-46(36-47)41-22-28-43(29-23-41)52-50-21-10-9-20-49(50)51-35-34-42-16-7-8-19-48(42)53(51)57-52/h1-36H.

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

6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine has a molecular weight of 764.93 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine is sourced from PubChem (CID 148557011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).