6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine

C52H34N4 — CID 176819205

About 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine

6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine (PubChem CID 176819205) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
• PubChem CID: 176819205
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8ccccc78)nc6)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C52H34N4/c1-3-12-35(13-4-1)36-22-26-38(27-23-36)49-33-50(56-52(55-49)40-14-5-2-6-15-40)39-28-24-37(25-29-39)41-16-11-17-42(32-41)43-30-31-48(53-34-43)51-46-20-8-7-18-44(46)45-19-9-10-21-47(45)54-51/h1-34H
• InChIKey: UYQACGPSLDLFHP-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.24
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-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine (CID 176819205) is 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine.

What is the SMILES notation for 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The canonical SMILES for 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8ccccc78)nc6)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

The InChIKey is UYQACGPSLDLFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-12-35(13-4-1)36-22-26-38(27-23-36)49-33-50(56-52(55-49)40-14-5-2-6-15-40)39-28-24-37(25-29-39)41-16-11-17-42(32-41)43-30-31-48(53-34-43)51-46-20-8-7-18-44(46)45-19-9-10-21-47(45)54-51/h1-34H.

What are the key properties of 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine?

6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).