isocyanato(diphenyl)phosphane

C13H10NOP — CID 13101863

IUPACisocyanato(diphenyl)phosphane
SMILESO=C=NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10NOP/c15-11-14-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyRHKXDRIAGSTWBH-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.37
Rot. Bonds3

About isocyanato(diphenyl)phosphane

isocyanato(diphenyl)phosphane (PubChem CID 13101863) has the molecular formula C13H10NOP and a molecular weight of 227.20 g/mol. Its IUPAC name is isocyanato(diphenyl)phosphane.

Molecular Properties

Compound Nameisocyanato(diphenyl)phosphane
PubChem CID13101863
Molecular FormulaC13H10NOP
Molecular Weight227.20 g/mol
Exact Mass227.05
IUPAC Nameisocyanato(diphenyl)phosphane
SMILESO=C=NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10NOP/c15-11-14-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyRHKXDRIAGSTWBH-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 11825466
CID 11825466
oxomethylideneiron;triphenylphosphane
CID 174701658
hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)
CID 157050156
benzene;1,2-diisocyanatobenzene
CID 159551146
(15N)isocyanatobenzene
CID 71309417
triphenylphosphane
CID 139056248
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride
CID 175204073
CID 11082257
CID 11082257
CID 164523807
CID 164523807
2,2-dimethylpropane;triphenylphosphane
CID 143924519
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317

Frequently Asked Questions

What is the IUPAC name of isocyanato(diphenyl)phosphane?
The IUPAC name of isocyanato(diphenyl)phosphane (CID 13101863) is isocyanato(diphenyl)phosphane.
What is the SMILES notation for isocyanato(diphenyl)phosphane?
The canonical SMILES for isocyanato(diphenyl)phosphane is O=C=NP(c1ccccc1)c1ccccc1.
What is the InChIKey of isocyanato(diphenyl)phosphane?
The InChIKey is RHKXDRIAGSTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NOP/c15-11-14-16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of isocyanato(diphenyl)phosphane?
isocyanato(diphenyl)phosphane has a molecular weight of 227.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato(diphenyl)phosphane is sourced from PubChem (CID 13101863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).