23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide

C54H28N2O6P2 — CID 134317756

About 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide

23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide (PubChem CID 134317756) has the molecular formula C54H28N2O6P2 and a molecular weight of 862.77 g/mol. Its IUPAC name is 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide.

Molecular Properties

• Compound Name: 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide
• PubChem CID: 134317756
• Molecular Formula: C54H28N2O6P2
• Molecular Weight: 862.77 g/mol
• Exact Mass: 862.14
• IUPAC Name: 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide
• SMILES: O=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1c5c6c(cc31)Oc1cc3ccccc3c3c1P6(=O)c1c(cccc1N5c1ccccc1)O3)Oc1cc3ccccc3c(c12)O4
• InChI: InChI=1S/C54H28N2O6P2/c57-63-49-37-21-11-23-39(49)61-47-33-19-9-7-13-29(33)25-41(53(47)63)59-43-28-36-35(45(51(43)63)55(37)31-15-3-1-4-16-31)27-44-52-46(36)56(32-17-5-2-6-18-32)38-22-12-24-40-50(38)64(52,58)54-42(60-44)26-30-14-8-10-20-34(30)48(54)62-40/h1-28H
• InChIKey: OJCPYEFVGJAQPF-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.77
LogP ≤ 5	12.41
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 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide?

The IUPAC name of 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide (CID 134317756) is 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide.

What is the SMILES notation for 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide?

The canonical SMILES for 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide is O=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1c5c6c(cc31)Oc1cc3ccccc3c3c1P6(=O)c1c(cccc1N5c1ccccc1)O3)Oc1cc3ccccc3c(c12)O4.

What is the InChIKey of 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide?

The InChIKey is OJCPYEFVGJAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28N2O6P2/c57-63-49-37-21-11-23-39(49)61-47-33-19-9-7-13-29(33)25-41(53(47)63)59-43-28-36-35(45(51(43)63)55(37)31-15-3-1-4-16-31)27-44-52-46(36)56(32-17-5-2-6-18-32)38-22-12-24-40-50(38)64(52,58)54-42(60-44)26-30-14-8-10-20-34(30)48(54)62-40/h1-28H.

What are the key properties of 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide?

23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide has a molecular weight of 862.77 g/mol, XLogP of 12.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 23,46-diphenyl-17,28,48,50-tetraoxa-23,46-diaza-6λ5,39λ5-diphosphatetradecacyclo[25.19.1.14,8.16,18.137,41.02,25.05,24.07,16.010,15.029,38.031,36.039,47.040,45.022,49]pentaconta-1(47),2,4,7(16),8,10,12,14,18,20,22(49),24,26,29,31,33,35,37,40(45),41,43-henicosaene 6,39-dioxide is sourced from PubChem (CID 134317756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).