6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine

C53H35N3 — CID 146548667

About 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine

6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine (PubChem CID 146548667) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine.

Molecular Properties

• Compound Name: 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
• PubChem CID: 146548667
• Molecular Formula: C53H35N3
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.28
• IUPAC Name: 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)c2)cc1
• InChI: InChI=1S/C53H35N3/c1-5-17-36(18-6-1)40-25-13-28-43(33-40)53-54-48(38-21-9-3-10-22-38)35-49(55-53)42-27-14-26-41(34-42)45-30-16-32-47-50-44(37-19-7-2-8-20-37)29-15-31-46(50)51(56-52(45)47)39-23-11-4-12-24-39/h1-35H
• InChIKey: PGUQTRRTCHRZKC-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine?

The IUPAC name of 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine (CID 146548667) is 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine.

What is the SMILES notation for 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine?

The canonical SMILES for 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)c2)cc1.

What is the InChIKey of 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine?

The InChIKey is PGUQTRRTCHRZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-17-36(18-6-1)40-25-13-28-43(33-40)53-54-48(38-21-9-3-10-22-38)35-49(55-53)42-27-14-26-41(34-42)45-30-16-32-47-50-44(37-19-7-2-8-20-37)29-15-31-46(50)51(56-52(45)47)39-23-11-4-12-24-39/h1-35H.

What are the key properties of 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine?

6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine is sourced from PubChem (CID 146548667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).