21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide

C50H26N2O6P2 — CID 134317726

About 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide

21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide (PubChem CID 134317726) has the molecular formula C50H26N2O6P2 and a molecular weight of 812.71 g/mol. Its IUPAC name is 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide.

Molecular Properties

• Compound Name: 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide
• PubChem CID: 134317726
• Molecular Formula: C50H26N2O6P2
• Molecular Weight: 812.71 g/mol
• Exact Mass: 812.13
• IUPAC Name: 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide
• SMILES: O=P12c3c4cccc3N(c3ccccc3)c3c5c6c(c(c31)Oc1cc3ccccc3c(c12)O4)N(c1ccccc1)c1cccc2c1P6(=O)c1c(cc3ccccc3c1O2)O5
• InChI: InChI=1S/C50H26N2O6P2/c53-59-45-33-21-11-23-35(45)55-41-31-19-9-8-14-28(31)26-38(47(41)59)58-44-40-50-43(39(49(44)59)51(33)29-15-3-1-4-16-29)57-37-25-27-13-7-10-20-32(27)42-48(37)60(50,54)46-34(22-12-24-36(46)56-42)52(40)30-17-5-2-6-18-30/h1-26H
• InChIKey: DGDQIZBZELODQK-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.71
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide?

The IUPAC name of 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide (CID 134317726) is 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide.

What is the SMILES notation for 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide?

The canonical SMILES for 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide is O=P12c3c4cccc3N(c3ccccc3)c3c5c6c(c(c31)Oc1cc3ccccc3c(c12)O4)N(c1ccccc1)c1cccc2c1P6(=O)c1c(cc3ccccc3c1O2)O5.

What is the InChIKey of 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide?

The InChIKey is DGDQIZBZELODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N2O6P2/c53-59-45-33-21-11-23-35(45)55-41-31-19-9-8-14-28(31)26-38(47(41)59)58-44-40-50-43(39(49(44)59)51(33)29-15-3-1-4-16-29)57-37-25-27-13-7-10-20-32(27)42-48(37)60(50,54)46-34(22-12-24-36(46)56-42)52(40)30-17-5-2-6-18-30/h1-26H.

What are the key properties of 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide?

21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide has a molecular weight of 812.71 g/mol, XLogP of 11.26, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 21,42-diphenyl-15,24,44,46-tetraoxa-21,42-diaza-4λ5,35λ5-diphosphatridecacyclo[21.19.1.12,6.14,16.133,37.03,22.05,14.08,13.025,34.027,32.035,43.036,41.020,45]hexatetraconta-1,3(22),5(14),6,8,10,12,16,18,20(45),23(43),25,27,29,31,33,36(41),37,39-nonadecaene 4,35-dioxide is sourced from PubChem (CID 134317726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).