11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide

C40H23N2O2P — CID 134317375

IUPAC11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide
SMILESO=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1c2c(c2ccc3cccc5ccc1c2c35)O4
InChIInChI=1S/C40H23N2O2P/c43-45-38-30-16-8-17-31(38)42(27-14-5-2-6-15-27)36-28-22-20-24-10-7-11-25-21-23-29(35(28)34(24)25)37(40(36)45)44-33-19-9-18-32(39(33)45)41(30)26-12-3-1-4-13-26/h1-23H
InChIKeyYBIVTDSPXCVGJB-UHFFFAOYSA-N
MW594.61 g/mol
LogP9.90
Rot. Bonds2

About 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide

11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide (PubChem CID 134317375) has the molecular formula C40H23N2O2P and a molecular weight of 594.61 g/mol. Its IUPAC name is 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide.

Molecular Properties

Compound Name11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide
PubChem CID134317375
Molecular FormulaC40H23N2O2P
Molecular Weight594.61 g/mol
Exact Mass594.15
IUPAC Name11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide
SMILESO=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1c2c(c2ccc3cccc5ccc1c2c35)O4
InChIInChI=1S/C40H23N2O2P/c43-45-38-30-16-8-17-31(38)42(27-14-5-2-6-15-27)36-28-22-20-24-10-7-11-25-21-23-29(35(28)34(24)25)37(40(36)45)44-33-19-9-18-32(39(33)45)41(30)26-12-3-1-4-13-26/h1-23H
InChIKeyYBIVTDSPXCVGJB-UHFFFAOYSA-N
XLogP9.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.61
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide?
The IUPAC name of 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide (CID 134317375) is 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide.
What is the SMILES notation for 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide?
The canonical SMILES for 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide is O=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1c2c(c2ccc3cccc5ccc1c2c35)O4.
What is the InChIKey of 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide?
The InChIKey is YBIVTDSPXCVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N2O2P/c43-45-38-30-16-8-17-31(38)42(27-14-5-2-6-15-27)36-28-22-20-24-10-7-11-25-21-23-29(35(28)34(24)25)37(40(36)45)44-33-19-9-18-32(39(33)45)41(30)26-12-3-1-4-13-26/h1-23H.
What are the key properties of 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide?
11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide has a molecular weight of 594.61 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide is sourced from PubChem (CID 134317375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).