2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine

C55H38N6 — CID 154611847

About 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine

2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 154611847) has the molecular formula C55H38N6 and a molecular weight of 782.95 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 154611847
• Molecular Formula: C55H38N6
• Molecular Weight: 782.95 g/mol
• Exact Mass: 782.32
• IUPAC Name: 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine
• SMILES: CCc1nc2c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccc(-c8ccccc8)cc7)n6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1
• InChI: InChI=1S/C55H38N6/c1-2-51-60-54-50(61(51)42-19-10-5-11-20-42)34-33-44-43-21-12-13-22-46(43)57-53(52(44)54)41-31-29-39(30-32-41)45-23-14-24-47(56-45)55-58-48(38-17-8-4-9-18-38)35-49(59-55)40-27-25-37(26-28-40)36-15-6-3-7-16-36/h3-35H,2H2,1H3
• InChIKey: WSVPHMMZOUKZQZ-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.95
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine?

The IUPAC name of 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine (CID 154611847) is 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine.

What is the SMILES notation for 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine?

The canonical SMILES for 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccc(-c8ccccc8)cc7)n6)n5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.

What is the InChIKey of 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is WSVPHMMZOUKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6/c1-2-51-60-54-50(61(51)42-19-10-5-11-20-42)34-33-44-43-21-12-13-22-46(43)57-53(52(44)54)41-31-29-39(30-32-41)45-23-14-24-47(56-45)55-58-48(38-17-8-4-9-18-38)35-49(59-55)40-27-25-37(26-28-40)36-15-6-3-7-16-36/h3-35H,2H2,1H3.

What are the key properties of 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine?

2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 782.95 g/mol, XLogP of 13.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-phenyl-4-[4-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 154611847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).