15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

C46H28N4 — CID 129262664

About 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (PubChem CID 129262664) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

Molecular Properties

• Compound Name: 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
• PubChem CID: 129262664
• Molecular Formula: C46H28N4
• Molecular Weight: 636.76 g/mol
• Exact Mass: 636.23
• IUPAC Name: 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4nc5cccc6c5n4-c4ccccc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C46H28N4/c1-2-13-29(14-3-1)30-25-27-31(28-26-30)42-34-17-6-10-22-39(34)47-44(49-42)45-48-40-23-12-21-38-43(40)50(45)41-24-11-9-20-37(41)46(38)35-18-7-4-15-32(35)33-16-5-8-19-36(33)46/h1-28H
• InChIKey: LCKZYWZARWHVTR-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.76
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The IUPAC name of 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (CID 129262664) is 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

What is the SMILES notation for 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The canonical SMILES for 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4nc5cccc6c5n4-c4ccccc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

The InChIKey is LCKZYWZARWHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-13-29(14-3-1)30-25-27-31(28-26-30)42-34-17-6-10-22-39(34)47-44(49-42)45-48-40-23-12-21-38-43(40)50(45)41-24-11-9-20-37(41)46(38)35-18-7-4-15-32(35)33-16-5-8-19-36(33)46/h1-28H.

What are the key properties of 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?

15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] has a molecular weight of 636.76 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is sourced from PubChem (CID 129262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).