17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide

C129H95N10O5P3Si3 — CID 160609218

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide (PubChem CID 160609218) has the molecular formula C129H95N10O5P3Si3 and a molecular weight of 2042.42 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide
• PubChem CID: 160609218
• Molecular Formula: C129H95N10O5P3Si3
• Molecular Weight: 2042.42 g/mol
• Exact Mass: 2040.60
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide
• SMILES: C[Si]1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2P(=O)(c2ccccc2)c2cc3c(cc21)c1ccccc1n3-c1ccccc1.C[Si]1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2P(=O)(c2ccccc2)c2cc3oc4ccccc4c3cc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3cc21
• InChI: InChI=1S/C47H35N4OPSi.2C41H30N3O2PSi/c1-54(2)43-28-27-34(47-49-45(32-17-7-3-8-18-32)48-46(50-47)33-19-9-4-10-20-33)29-41(43)53(52,36-23-13-6-14-24-36)42-31-40-38(30-44(42)54)37-25-15-16-26-39(37)51(40)35-21-11-5-12-22-35;1-48(2)37-21-13-12-20-35(37)47(45,30-18-10-5-11-19-30)36-26-34-32(25-38(36)48)31-23-22-29(24-33(31)46-34)41-43-39(27-14-6-3-7-15-27)42-40(44-41)28-16-8-4-9-17-28;1-48(2)37-23-22-29(41-43-39(27-14-6-3-7-15-27)42-40(44-41)28-16-8-4-9-17-28)24-35(37)47(45,30-18-10-5-11-19-30)36-26-34-32(25-38(36)48)31-20-12-13-21-33(31)46-34/h3-31H,1-2H3;2*3-26H,1-2H3
• InChIKey: RFHAJXUMKZAKJA-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 198.43 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.42
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide?

The IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide (CID 160609218) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide.

What is the SMILES notation for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide?

The canonical SMILES for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide is C[Si]1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2P(=O)(c2ccccc2)c2cc3c(cc21)c1ccccc1n3-c1ccccc1.C[Si]1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2P(=O)(c2ccccc2)c2cc3oc4ccccc4c3cc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3cc21.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide?

The InChIKey is RFHAJXUMKZAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N4OPSi.2C41H30N3O2PSi/c1-54(2)43-28-27-34(47-49-45(32-17-7-3-8-18-32)48-46(50-47)33-19-9-4-10-20-33)29-41(43)53(52,36-23-13-6-14-24-36)42-31-40-38(30-44(42)54)37-25-15-16-26-39(37)51(40)35-21-11-5-12-22-35;1-48(2)37-21-13-12-20-35(37)47(45,30-18-10-5-11-19-30)36-26-34-32(25-38(36)48)31-23-22-29(24-33(31)46-34)41-43-39(27-14-6-3-7-15-27)42-40(44-41)28-16-8-4-9-17-28;1-48(2)37-23-22-29(41-43-39(27-14-6-3-7-15-27)42-40(44-41)28-16-8-4-9-17-28)24-35(37)47(45,30-18-10-5-11-19-30)36-26-34-32(25-38(36)48)31-20-12-13-21-33(31)46-34/h3-31H,1-2H3;2*3-26H,1-2H3.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide?

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide has a molecular weight of 2042.42 g/mol, XLogP of 23.84, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide is sourced from PubChem (CID 160609218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).