(3-diphenylphosphorylphenyl) cyanate

C19H14NO2P — CID 164761043

IUPAC(3-diphenylphosphorylphenyl) cyanate
SMILESN#COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14NO2P/c20-15-22-16-8-7-13-19(14-16)23(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H
InChIKeyHWAPVGXWADVKBS-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.19
Rot. Bonds4

About (3-diphenylphosphorylphenyl) cyanate

(3-diphenylphosphorylphenyl) cyanate (PubChem CID 164761043) has the molecular formula C19H14NO2P and a molecular weight of 319.30 g/mol. Its IUPAC name is (3-diphenylphosphorylphenyl) cyanate.

Molecular Properties

Compound Name(3-diphenylphosphorylphenyl) cyanate
PubChem CID164761043
Molecular FormulaC19H14NO2P
Molecular Weight319.30 g/mol
Exact Mass319.08
IUPAC Name(3-diphenylphosphorylphenyl) cyanate
SMILESN#COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14NO2P/c20-15-22-16-8-7-13-19(14-16)23(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H
InChIKeyHWAPVGXWADVKBS-UHFFFAOYSA-N
XLogP3.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-3-ethoxybenzene
CID 148706452
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
diphenylphosphorylbenzene;terbium
CID 86595283
(3-cyanophenyl) cyanate
CID 134259418
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
methane;phenyl cyanate;propane
CID 158347144
1,3-di(propan-2-yl)benzene;phenyl cyanate
CID 159209579
[3-(2,5-dioxopyrrol-1-yl)phenyl] cyanate
CID 19967611
[3-[4-(4-cyanatobenzoyl)benzoyl]phenyl] cyanate
CID 100938533
diphenylphosphorylbenzene;oxirene
CID 174881764
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphorylphenyl) cyanate?
The IUPAC name of (3-diphenylphosphorylphenyl) cyanate (CID 164761043) is (3-diphenylphosphorylphenyl) cyanate.
What is the SMILES notation for (3-diphenylphosphorylphenyl) cyanate?
The canonical SMILES for (3-diphenylphosphorylphenyl) cyanate is N#COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-diphenylphosphorylphenyl) cyanate?
The InChIKey is HWAPVGXWADVKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO2P/c20-15-22-16-8-7-13-19(14-16)23(21,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H.
What are the key properties of (3-diphenylphosphorylphenyl) cyanate?
(3-diphenylphosphorylphenyl) cyanate has a molecular weight of 319.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphorylphenyl) cyanate is sourced from PubChem (CID 164761043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).