7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine

C47H29N3 — CID 144856150

About 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine

7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine (PubChem CID 144856150) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine.

Molecular Properties

• Compound Name: 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
• PubChem CID: 144856150
• Molecular Formula: C47H29N3
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.24
• IUPAC Name: 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccccc56)cc4)nc4c3ccc3ccccc34)c2)cc1
• InChI: InChI=1S/C47H29N3/c1-2-11-30(12-3-1)35-15-10-16-36(29-35)44-41-28-26-32-14-5-7-18-38(32)46(41)50-47(49-44)34-23-21-33(22-24-34)43-39-19-8-9-20-42(39)48-45-37-17-6-4-13-31(37)25-27-40(43)45/h1-29H
• InChIKey: ZDOASSVLVMDDQA-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine?

The IUPAC name of 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine (CID 144856150) is 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine.

What is the SMILES notation for 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine?

The canonical SMILES for 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6nc6c5ccc5ccccc56)cc4)nc4c3ccc3ccccc34)c2)cc1.

What is the InChIKey of 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine?

The InChIKey is ZDOASSVLVMDDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-11-30(12-3-1)35-15-10-16-36(29-35)44-41-28-26-32-14-5-7-18-38(32)46(41)50-47(49-44)34-23-21-33(22-24-34)43-39-19-8-9-20-42(39)48-45-37-17-6-4-13-31(37)25-27-40(43)45/h1-29H.

What are the key properties of 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine?

7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine is sourced from PubChem (CID 144856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).