9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene

C56H34N4 — CID 134369954

About 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene

9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene (PubChem CID 134369954) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
• PubChem CID: 134369954
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C56H34N4/c1-3-17-35(18-4-1)36-31-33-37(34-32-36)53-43-25-11-14-28-46(43)57-56(58-53)60-48-30-16-13-27-45(48)52-50-42-24-10-8-22-40(42)39-21-7-9-23-41(39)49(50)51-44-26-12-15-29-47(44)59(54(51)55(52)60)38-19-5-2-6-20-38/h1-34H
• InChIKey: NMLPVLNIJWOJAW-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	14.62
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 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene?

The IUPAC name of 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene (CID 134369954) is 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene.

What is the SMILES notation for 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene?

The canonical SMILES for 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene?

The InChIKey is NMLPVLNIJWOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-17-35(18-4-1)36-31-33-37(34-32-36)53-43-25-11-14-28-46(43)57-56(58-53)60-48-30-16-13-27-45(48)52-50-42-24-10-8-22-40(42)39-21-7-9-23-41(39)49(50)51-44-26-12-15-29-47(44)59(54(51)55(52)60)38-19-5-2-6-20-38/h1-34H.

What are the key properties of 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene?

9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene is sourced from PubChem (CID 134369954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).