17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide

C51H34N5OP — CID 153292035

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 153292035) has the molecular formula C51H34N5OP and a molecular weight of 763.84 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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: 153292035
• Molecular Formula: C51H34N5OP
• Molecular Weight: 763.84 g/mol
• Exact Mass: 763.25
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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: O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C51H34N5OP/c57-58(40-26-14-5-15-27-40)47-32-37(51-53-49(35-18-6-1-7-19-35)52-50(54-51)36-20-8-2-9-21-36)30-31-44(47)56(39-24-12-4-13-25-39)46-33-42-41-28-16-17-29-43(41)55(45(42)34-48(46)58)38-22-10-3-11-23-38/h1-34H
• InChIKey: XTWQXSSMUFBIRB-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.84
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 153292035) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2N(c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 XTWQXSSMUFBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N5OP/c57-58(40-26-14-5-15-27-40)47-32-37(51-53-49(35-18-6-1-7-19-35)52-50(54-51)36-20-8-2-9-21-36)30-31-44(47)56(39-24-12-4-13-25-39)46-33-42-41-28-16-17-29-43(41)55(45(42)34-48(46)58)38-22-10-3-11-23-38/h1-34H.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 763.84 g/mol, XLogP of 11.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14,21-triphenyl-10,21-diaza-14λ5-phosphapentacyclo[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 153292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).