9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide

C164H114N2O4P4Si4 — CID 164993585

About 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide

9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide (PubChem CID 164993585) has the molecular formula C164H114N2O4P4Si4 and a molecular weight of 2412.97 g/mol. Its IUPAC name is 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide.

Molecular Properties

• Compound Name: 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide
• PubChem CID: 164993585
• Molecular Formula: C164H114N2O4P4Si4
• Molecular Weight: 2412.97 g/mol
• Exact Mass: 2410.68
• IUPAC Name: 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide
• SMILES: C[Si]1(C)C2=C(c3ccccc31)c1c(ccc3ccccc13)P(=O)(c1ccc3ccccc3c1)c1ccccc12.O=P1(c2ccc3ccccc3c2)c2ccccc2C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1ccccc12.O=P1(c2ccc3cccnc3c2)c2ccccc2C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1ccccc12.O=P1(c2ccc3cccnc3c2)c2ccccc2C2=C(c3ccccc3[Si]2(c2ccccc2)c2ccccc2)c2c1ccc1ccccc21
• InChI: InChI=1S/C45H30NOPSi.C42H29OPSi.C41H28NOPSi.C36H27OPSi/c47-48(33-27-25-32-15-13-29-46-39(32)30-33)40-23-11-9-21-37(40)45-44(43-36-20-8-7-14-31(36)26-28-41(43)48)38-22-10-12-24-42(38)49(45,34-16-3-1-4-17-34)35-18-5-2-6-19-35;43-44(32-28-27-30-15-7-8-16-31(30)29-32)38-24-12-9-21-35(38)41-37-23-11-14-26-40(37)45(33-17-3-1-4-18-33,34-19-5-2-6-20-34)42(41)36-22-10-13-25-39(36)44;43-44(30-26-25-29-14-13-27-42-36(29)28-30)37-22-10-7-19-33(37)40-35-21-9-12-24-39(35)45(31-15-3-1-4-16-31,32-17-5-2-6-18-32)41(40)34-20-8-11-23-38(34)44;1-39(2)33-18-10-8-16-30(33)35-34-28-14-6-5-12-25(28)20-22-32(34)38(37,31-17-9-7-15-29(31)36(35)39)27-21-19-24-11-3-4-13-26(24)23-27/h1-30H;1-29H;1-28H;3-23H,1-2H3
• InChIKey: HFJVMTBFDKZXMO-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 94.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2412.97
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide?

The IUPAC name of 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide (CID 164993585) is 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide.

What is the SMILES notation for 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide?

The canonical SMILES for 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide is C[Si]1(C)C2=C(c3ccccc31)c1c(ccc3ccccc13)P(=O)(c1ccc3ccccc3c1)c1ccccc12.O=P1(c2ccc3ccccc3c2)c2ccccc2C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1ccccc12.O=P1(c2ccc3cccnc3c2)c2ccccc2C2=C(c3ccccc31)[Si](c1ccccc1)(c1ccccc1)c1ccccc12.O=P1(c2ccc3cccnc3c2)c2ccccc2C2=C(c3ccccc3[Si]2(c2ccccc2)c2ccccc2)c2c1ccc1ccccc21.

What is the InChIKey of 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide?

The InChIKey is HFJVMTBFDKZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30NOPSi.C42H29OPSi.C41H28NOPSi.C36H27OPSi/c47-48(33-27-25-32-15-13-29-46-39(32)30-33)40-23-11-9-21-37(40)45-44(43-36-20-8-7-14-31(36)26-28-41(43)48)38-22-10-12-24-42(38)49(45,34-16-3-1-4-17-34)35-18-5-2-6-19-35;43-44(32-28-27-30-15-7-8-16-31(30)29-32)38-24-12-9-21-35(38)41-37-23-11-14-26-40(37)45(33-17-3-1-4-18-33,34-19-5-2-6-20-34)42(41)36-22-10-13-25-39(36)44;43-44(30-26-25-29-14-13-27-42-36(29)28-30)37-22-10-7-19-33(37)40-35-21-9-12-24-39(35)45(31-15-3-1-4-16-31,32-17-5-2-6-18-32)41(40)34-20-8-11-23-38(34)44;1-39(2)33-18-10-8-16-30(33)35-34-28-14-6-5-12-25(28)20-22-32(34)38(37,31-17-9-7-15-29(31)36(35)39)27-21-19-24-11-3-4-13-26(24)23-27/h1-30H;1-29H;1-28H;3-23H,1-2H3.

What are the key properties of 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide?

9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide has a molecular weight of 2412.97 g/mol, XLogP of 27.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-17-naphthalen-2-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;9,9-diphenyl-17-quinolin-7-yl-17λ5-phospha-9-silahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene 17-oxide;22,22-diphenyl-8-quinolin-7-yl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide;8-naphthalen-2-yl-22,22-diphenyl-8λ5-phospha-22-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide is sourced from PubChem (CID 164993585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).