10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C128H91N8O3P3 — CID 159964241

About 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (PubChem CID 159964241) has the molecular formula C128H91N8O3P3 and a molecular weight of 1882.11 g/mol. Its IUPAC name is 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 159964241
• Molecular Formula: C128H91N8O3P3
• Molecular Weight: 1882.11 g/mol
• Exact Mass: 1880.64
• IUPAC Name: 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• SMILES: CCc1nc2ccc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3c2n1-c1ccccc1P3(=O)c1ccccc1.CCc1nc2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2n1-c1ccccc1P3(=O)c1ccccc1.CCc1nc2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3c2n1-c1ccccc1P3(=O)c1ccccc1
• InChI: InChI=1S/C47H33N2OP.C41H29N2OP.C40H29N4OP/c1-2-45-48-42-25-24-41(47-46(42)49(45)43-18-10-11-19-44(43)51(47,50)40-16-4-3-5-17-40)39-29-37(35-22-20-31-12-6-8-14-33(31)26-35)28-38(30-39)36-23-21-32-13-7-9-15-34(32)27-36;1-2-39-42-36-23-22-35(41-40(36)43(39)37-14-8-9-15-38(37)45(41,44)34-12-4-3-5-13-34)33-21-20-31-25-30(18-19-32(31)26-33)29-17-16-27-10-6-7-11-28(27)24-29;1-2-37-41-33-26-25-31(39-38(33)44(37)35-19-11-12-20-36(35)46(39,45)30-15-7-4-8-16-30)27-21-23-28(24-22-27)40-42-32-17-9-10-18-34(32)43(40)29-13-5-3-6-14-29/h3-30H,2H2,1H3;3-26H,2H2,1H3;3-26H,2H2,1H3
• InChIKey: ODSIZHYOTSJLQP-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 122.49 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.11
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (CID 159964241) is 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is CCc1nc2ccc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3c2n1-c1ccccc1P3(=O)c1ccccc1.CCc1nc2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2n1-c1ccccc1P3(=O)c1ccccc1.CCc1nc2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3c2n1-c1ccccc1P3(=O)c1ccccc1.

What is the InChIKey of 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is ODSIZHYOTSJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N2OP.C41H29N2OP.C40H29N4OP/c1-2-45-48-42-25-24-41(47-46(42)49(45)43-18-10-11-19-44(43)51(47,50)40-16-4-3-5-17-40)39-29-37(35-22-20-31-12-6-8-14-33(31)26-35)28-38(30-39)36-23-21-32-13-7-9-15-34(32)27-36;1-2-39-42-36-23-22-35(41-40(36)43(39)37-14-8-9-15-38(37)45(41,44)34-12-4-3-5-13-34)33-21-20-31-25-30(18-19-32(31)26-33)29-17-16-27-10-6-7-11-28(27)24-29;1-2-37-41-33-26-25-31(39-38(33)44(37)35-19-11-12-20-36(35)46(39,45)30-15-7-4-8-16-30)27-21-23-28(24-22-27)40-42-32-17-9-10-18-34(32)43(40)29-13-5-3-6-14-29/h3-30H,2H2,1H3;3-26H,2H2,1H3;3-26H,2H2,1H3.

What are the key properties of 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 1882.11 g/mol, XLogP of 28.24, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-10-(6-naphthalen-2-ylnaphthalen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-ethyl-8-phenyl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 159964241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).