34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide

C₄₂H₂₂N₂O₆P₂ — CID 134317725

About 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide

34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide (PubChem CID 134317725) has the molecular formula C₄₂H₂₂N₂O₆P₂ and a molecular weight of 712.59 g/mol. Its IUPAC name is 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide.

Molecular Properties

• Compound Name: 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide
• PubChem CID: 134317725
• Molecular Formula: C₄₂H₂₂N₂O₆P₂
• Molecular Weight: 712.59 g/mol
• Exact Mass: 712.10
• IUPAC Name: 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide
• SMILES: O=P12c3c4cccc3Oc3c5c6c(c(c31)N(c1ccccc1)c1cccc(c12)O4)N(c1ccccc1)c1cccc2c1P6(=O)c1c(cccc1O5)O2
• InChI: InChI=1S/C42H22N2O6P2/c45-51-37-25-15-7-17-27(37)47-29-19-9-21-31(39(29)51)49-35-36-42-34(33(41(35)51)43(25)23-11-3-1-4-12-23)44(24-13-5-2-6-14-24)26-16-8-18-28-38(26)52(42,46)40-30(48-28)20-10-22-32(40)50-36/h1-22H
• InChIKey: LZZOBKNOPJJLEL-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.59
LogP ≤ 5	8.95
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 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide?

The IUPAC name of 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide (CID 134317725) is 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide.

What is the SMILES notation for 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide?

The canonical SMILES for 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide is O=P12c3c4cccc3Oc3c5c6c(c(c31)N(c1ccccc1)c1cccc(c12)O4)N(c1ccccc1)c1cccc2c1P6(=O)c1c(cccc1O5)O2.

What is the InChIKey of 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide?

The InChIKey is LZZOBKNOPJJLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H22N2O6P2/c45-51-37-25-15-7-17-27(37)47-29-19-9-21-31(39(29)51)49-35-36-42-34(33(41(35)51)43(25)23-11-3-1-4-12-23)44(24-13-5-2-6-14-24)26-16-8-18-28-38(26)52(42,46)40-30(48-28)20-10-22-32(40)50-36/h1-22H.

What are the key properties of 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide?

34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide has a molecular weight of 712.59 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 34,38-diphenyl-11,17,20,36-tetraoxa-34,38-diaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12(37),13,15,19(35),21,23,25,28(33),29,31-pentadecaene 4,27-dioxide is sourced from PubChem (CID 134317725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134317725 — identifiers, structure, computed properties (public domain)

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