14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

C30H19N2O2P — CID 134317447

IUPAC14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O2P/c33-35-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)35)34-26-18-8-16-24(29(26)35)31(22)20-10-3-1-4-11-20/h1-19H
InChIKeyVMAHTXFNXZOUMS-UHFFFAOYSA-N
MW470.47 g/mol
LogP7.00
Rot. Bonds2

About 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (PubChem CID 134317447) has the molecular formula C30H19N2O2P and a molecular weight of 470.47 g/mol. Its IUPAC name is 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.

Molecular Properties

Compound Name14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
PubChem CID134317447
Molecular FormulaC30H19N2O2P
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O2P/c33-35-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)35)34-26-18-8-16-24(29(26)35)31(22)20-10-3-1-4-11-20/h1-19H
InChIKeyVMAHTXFNXZOUMS-UHFFFAOYSA-N
XLogP7.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The IUPAC name of 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (CID 134317447) is 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.
What is the SMILES notation for 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The canonical SMILES for 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is O=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
The InChIKey is VMAHTXFNXZOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2O2P/c33-35-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)35)34-26-18-8-16-24(29(26)35)31(22)20-10-3-1-4-11-20/h1-19H.
What are the key properties of 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?
14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide has a molecular weight of 470.47 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is sourced from PubChem (CID 134317447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).