22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide

C53H35N2O3P — CID 146491481

About 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide

22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide (PubChem CID 146491481) has the molecular formula C53H35N2O3P and a molecular weight of 778.85 g/mol. Its IUPAC name is 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide.

Molecular Properties

• Compound Name: 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide
• PubChem CID: 146491481
• Molecular Formula: C53H35N2O3P
• Molecular Weight: 778.85 g/mol
• Exact Mass: 778.24
• IUPAC Name: 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide
• SMILES: Cc1ccc(N2c3cc4c(cc3P3(=O)c5cc6oc7ccc8ccccc8c7c6cc5N(c5ccc(C)cc5)c5cc(C)cc2c53)oc2c3ccccc3ccc42)cc1
• InChI: InChI=1S/C53H35N2O3P/c1-30-12-18-35(19-13-30)54-42-26-40-39-22-16-34-9-5-7-11-38(34)52(39)58-47(40)28-49(42)59(56)50-29-48-41(51-37-10-6-4-8-33(37)17-23-46(51)57-48)27-43(50)55(36-20-14-31(2)15-21-36)45-25-32(3)24-44(54)53(45)59/h4-29H,1-3H3
• InChIKey: UCNBSSDJQBRJST-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 49.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.85
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide?

The IUPAC name of 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide (CID 146491481) is 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide.

What is the SMILES notation for 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide?

The canonical SMILES for 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide is Cc1ccc(N2c3cc4c(cc3P3(=O)c5cc6oc7ccc8ccccc8c7c6cc5N(c5ccc(C)cc5)c5cc(C)cc2c53)oc2c3ccccc3ccc42)cc1.

What is the InChIKey of 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide?

The InChIKey is UCNBSSDJQBRJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N2O3P/c1-30-12-18-35(19-13-30)54-42-26-40-39-22-16-34-9-5-7-11-38(34)52(39)58-47(40)28-49(42)59(56)50-29-48-41(51-37-10-6-4-8-33(37)17-23-46(51)57-48)27-43(50)55(36-20-14-31(2)15-21-36)45-25-32(3)24-44(54)53(45)59/h4-29H,1-3H3.

What are the key properties of 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide?

22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide has a molecular weight of 778.85 g/mol, XLogP of 13.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 22-methyl-19,25-bis(4-methylphenyl)-5,39-dioxa-19,25-diaza-1λ5-phosphaundecacyclo[22.18.1.02,18.04,16.06,15.07,12.020,43.026,42.028,40.029,38.030,35]tritetraconta-2(18),3,6(15),7,9,11,13,16,20(43),21,23,26(42),27,29(38),30,32,34,36,40-nonadecaene 1-oxide is sourced from PubChem (CID 146491481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).