14,22-diphenyl-1-sulfanylidene-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

C30H19N2OPS — CID 134317278

IUPAC14,22-diphenyl-1-sulfanylidene-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
SMILESS=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2OPS/c35-34-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)34)33-26-18-8-16-24(29(26)34)31(22)20-10-3-1-4-11-20/h1-19H
InChIKeyZVHBLGCTMYLEER-UHFFFAOYSA-N
MW486.54 g/mol
LogP7.11
Rot. Bonds2

About 14,22-diphenyl-1-sulfanylidene-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

14,22-diphenyl-1-sulfanylidene-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 (PubChem CID 134317278) has the molecular formula C30H19N2OPS and a molecular weight of 486.54 g/mol. Its IUPAC name is 14,22-diphenyl-1-sulfanylidene-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.

Molecular Properties

Compound Name14,22-diphenyl-1-sulfanylidene-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
PubChem CID134317278
Molecular FormulaC30H19N2OPS
Molecular Weight486.54 g/mol
Exact Mass486.10
IUPAC Name14,22-diphenyl-1-sulfanylidene-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
SMILESS=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2OPS/c35-34-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)34)33-26-18-8-16-24(29(26)34)31(22)20-10-3-1-4-11-20/h1-19H
InChIKeyZVHBLGCTMYLEER-UHFFFAOYSA-N
XLogP7.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14,22-diphenyl-1-sulfanylidene-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,22-diphenyl-1-sulfanylidene-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?
The IUPAC name of 14,22-diphenyl-1-sulfanylidene-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 (CID 134317278) is 14,22-diphenyl-1-sulfanylidene-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.
What is the SMILES notation for 14,22-diphenyl-1-sulfanylidene-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?
The canonical SMILES for 14,22-diphenyl-1-sulfanylidene-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 is S=P12c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 14,22-diphenyl-1-sulfanylidene-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?
The InChIKey is ZVHBLGCTMYLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2OPS/c35-34-28-22-14-7-15-23(28)32(21-12-5-2-6-13-21)25-17-9-19-27(30(25)34)33-26-18-8-16-24(29(26)34)31(22)20-10-3-1-4-11-20/h1-19H.
What are the key properties of 14,22-diphenyl-1-sulfanylidene-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?
14,22-diphenyl-1-sulfanylidene-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 has a molecular weight of 486.54 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-diphenyl-1-sulfanylidene-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 is sourced from PubChem (CID 134317278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).