11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine

C51H32N4 — CID 129122934

About 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine

11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine (PubChem CID 129122934) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine.

Molecular Properties

• Compound Name: 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
• PubChem CID: 129122934
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C51H32N4/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)48-43-19-8-11-21-45(43)53-51(54-48)37-29-27-36(28-30-37)49-47-41(39-17-7-10-20-44(39)52-49)31-32-42-40-18-9-12-22-46(40)55(50(42)47)38-15-5-2-6-16-38/h1-32H
• InChIKey: ZEYWPZPCVSCLEW-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
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 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine?

The IUPAC name of 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine (CID 129122934) is 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine.

What is the SMILES notation for 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine?

The canonical SMILES for 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c56)cc4)nc4ccccc34)cc2)cc1.

What is the InChIKey of 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine?

The InChIKey is ZEYWPZPCVSCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-13-33(14-4-1)34-23-25-35(26-24-34)48-43-19-8-11-21-45(43)53-51(54-48)37-29-27-36(28-30-37)49-47-41(39-17-7-10-20-44(39)52-49)31-32-42-40-18-9-12-22-46(40)55(50(42)47)38-15-5-2-6-16-38/h1-32H.

What are the key properties of 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine?

11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine is sourced from PubChem (CID 129122934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).