28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]

C57H33N3 — CID 130452301

About 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]

28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene] (PubChem CID 130452301) has the molecular formula C57H33N3 and a molecular weight of 759.91 g/mol. Its IUPAC name is 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]
• PubChem CID: 130452301
• Molecular Formula: C57H33N3
• Molecular Weight: 759.91 g/mol
• Exact Mass: 759.27
• IUPAC Name: 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]
• SMILES: c1ccc(-c2nc(-n3c4c5c(ccc4c4ccc6ccccc6c43)C3(c4ccccc4-c4ccccc43)c3ccc4ccccc4c3-5)nc3ccc4ccccc4c23)cc1
• InChI: InChI=1S/C57H33N3/c1-2-17-37(18-3-1)53-51-39-20-8-5-15-35(39)28-33-49(51)58-56(59-53)60-54-40-21-9-6-16-36(40)26-29-43(54)44-30-32-48-52(55(44)60)50-38-19-7-4-14-34(38)27-31-47(50)57(48)45-24-12-10-22-41(45)42-23-11-13-25-46(42)57/h1-33H
• InChIKey: OMOPZKLJGVNTPP-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.91
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]?

The IUPAC name of 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene] (CID 130452301) is 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene].

What is the SMILES notation for 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]?

The canonical SMILES for 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene] is c1ccc(-c2nc(-n3c4c5c(ccc4c4ccc6ccccc6c43)C3(c4ccccc4-c4ccccc43)c3ccc4ccccc4c3-5)nc3ccc4ccccc4c23)cc1.

What is the InChIKey of 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]?

The InChIKey is OMOPZKLJGVNTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3/c1-2-17-37(18-3-1)53-51-39-20-8-5-15-35(39)28-33-49(51)58-56(59-53)60-54-40-21-9-6-16-36(40)26-29-43(54)44-30-32-48-52(55(44)60)50-38-19-7-4-14-34(38)27-31-47(50)57(48)45-24-12-10-22-41(45)42-23-11-13-25-46(42)57/h1-33H.

What are the key properties of 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene]?

28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene] has a molecular weight of 759.91 g/mol, XLogP of 14.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 28-(1-phenylbenzo[f]quinazolin-3-yl)spiro[28-azaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-13,9'-fluorene] is sourced from PubChem (CID 130452301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).