6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C58H35N3O — CID 162694337

About 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 162694337) has the molecular formula C58H35N3O and a molecular weight of 789.94 g/mol. Its IUPAC name is 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 162694337
• Molecular Formula: C58H35N3O
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.28
• IUPAC Name: 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)cc3)c3ccccc3n2)cc1
• InChI: InChI=1S/C58H35N3O/c1-2-15-38(16-3-1)57-60-51-27-12-7-22-44(51)54(61-57)37-31-29-36(30-32-37)39-17-14-18-40(35-39)55-45-33-34-49-56(53(45)43-21-6-11-26-50(43)59-55)62-52-28-13-10-25-48(52)58(49)46-23-8-4-19-41(46)42-20-5-9-24-47(42)58/h1-35H
• InChIKey: MODQCCKQOLRHGF-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.47
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-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 162694337) is 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)cc3)c3ccccc3n2)cc1.

What is the InChIKey of 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is MODQCCKQOLRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O/c1-2-15-38(16-3-1)57-60-51-27-12-7-22-44(51)54(61-57)37-31-29-36(30-32-37)39-17-14-18-40(35-39)55-45-33-34-49-56(53(45)43-21-6-11-26-50(43)59-55)62-52-28-13-10-25-48(52)58(49)46-23-8-4-19-41(46)42-20-5-9-24-47(42)58/h1-35H.

What are the key properties of 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 789.94 g/mol, XLogP of 14.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 162694337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).