7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide

C43H36N3OPSi2 — CID 153292041

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide (PubChem CID 153292041) has the molecular formula C43H36N3OPSi2 and a molecular weight of 697.93 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide.

Molecular Properties

• Compound Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide
• PubChem CID: 153292041
• Molecular Formula: C43H36N3OPSi2
• Molecular Weight: 697.93 g/mol
• Exact Mass: 697.21
• IUPAC Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide
• SMILES: C[Si]1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)P(=O)(c1ccccc1)c1ccccc1[Si]3(C)C
• InChI: InChI=1S/C43H36N3OPSi2/c1-49(2)37-23-15-14-22-35(37)48(47,32-20-12-7-13-21-32)36-28-39-34(27-40(36)49)33-25-24-31(26-38(33)50(39,3)4)43-45-41(29-16-8-5-9-17-29)44-42(46-43)30-18-10-6-11-19-30/h5-28H,1-4H3
• InChIKey: PWPKZXZOGCDYOB-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.93
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide?

The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide (CID 153292041) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide.

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

The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide is C[Si]1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cc3c(cc21)P(=O)(c1ccccc1)c1ccccc1[Si]3(C)C.

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

The InChIKey is PWPKZXZOGCDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N3OPSi2/c1-49(2)37-23-15-14-22-35(37)48(47,32-20-12-7-13-21-32)36-28-39-34(27-40(36)49)33-25-24-31(26-38(33)50(39,3)4)43-45-41(29-16-8-5-9-17-29)44-42(46-43)30-18-10-6-11-19-30/h5-28H,1-4H3.

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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide has a molecular weight of 697.93 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14λ5-phospha-10,21-disilapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide is sourced from PubChem (CID 153292041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).