2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine

C87H53N7 — CID 130316355

About 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine

2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 130316355) has the molecular formula C87H53N7 and a molecular weight of 1196.43 g/mol. Its IUPAC name is 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

• Compound Name: 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
• PubChem CID: 130316355
• Molecular Formula: C87H53N7
• Molecular Weight: 1196.43 g/mol
• Exact Mass: 1195.44
• IUPAC Name: 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6nc7ccc(-c8ccc9c(-c%10ccccc%10)nc(-c%10ccc(-c%11nc%12ccccc%12c%12c%11ccc%11ccccc%11%12)cc%10)nc9c8)cc7c7c6ccc6ccccc67)c5)c4)cc(-c4ccccn4)n3)c2)cc1
• InChI: InChI=1S/C87H53N7/c1-3-18-54(19-4-1)60-24-17-29-67(50-60)87-91-78(53-80(93-87)77-34-13-14-47-88-77)65-27-15-25-61(48-65)62-26-16-28-66(49-62)85-73-45-40-56-21-8-10-31-69(56)82(73)74-51-63(42-46-76(74)90-85)64-41-43-71-79(52-64)92-86(94-83(71)57-22-5-2-6-23-57)59-37-35-58(36-38-59)84-72-44-39-55-20-7-9-30-68(55)81(72)70-32-11-12-33-75(70)89-84/h1-53H
• InChIKey: UFBRCDLCLBHFCC-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.43
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?

The IUPAC name of 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine (CID 130316355) is 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine.

What is the SMILES notation for 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?

The canonical SMILES for 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6nc7ccc(-c8ccc9c(-c%10ccccc%10)nc(-c%10ccc(-c%11nc%12ccccc%12c%12c%11ccc%11ccccc%11%12)cc%10)nc9c8)cc7c7c6ccc6ccccc67)c5)c4)cc(-c4ccccn4)n3)c2)cc1.

What is the InChIKey of 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?

The InChIKey is UFBRCDLCLBHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N7/c1-3-18-54(19-4-1)60-24-17-29-67(50-60)87-91-78(53-80(93-87)77-34-13-14-47-88-77)65-27-15-25-61(48-65)62-26-16-28-66(49-62)85-73-45-40-56-21-8-10-31-69(56)82(73)74-51-63(42-46-76(74)90-85)64-41-43-71-79(52-64)92-86(94-83(71)57-22-5-2-6-23-57)59-37-35-58(36-38-59)84-72-44-39-55-20-7-9-30-68(55)81(72)70-32-11-12-33-75(70)89-84/h1-53H.

What are the key properties of 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?

2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 1196.43 g/mol, XLogP of 22.19, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 130316355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).