gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide

C21H18AuN2P — CID 13222343

IUPACgold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide
SMILESCP(C#N)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[C-]#N
InChIInChI=1S/C20H18NP.CN.Au/c1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2;/h2-16H,1H3;;/q;-1;+1
InChIKeyOMJVHNHXYICCDO-UHFFFAOYSA-N
MW526.33 g/mol
LogP3.72
Rot. Bonds3

About gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide

gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide (PubChem CID 13222343) has the molecular formula C21H18AuN2P and a molecular weight of 526.33 g/mol. Its IUPAC name is gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide.

Molecular Properties

Compound Namegold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide
PubChem CID13222343
Molecular FormulaC21H18AuN2P
Molecular Weight526.33 g/mol
Exact Mass526.09
IUPAC Namegold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide
SMILESCP(C#N)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[C-]#N
InChIInChI=1S/C20H18NP.CN.Au/c1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2;/h2-16H,1H3;;/q;-1;+1
InChIKeyOMJVHNHXYICCDO-UHFFFAOYSA-N
XLogP3.72
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
CID 71339905
CID 71339905
difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
acetonitrile;biphenylene
CID 23213528
[methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide
CID 173126694
1,1'-biphenyl cyanide
CID 160660269
bis(acetonitrile);1,1'-biphenyl
CID 175366291
4-[4-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]phenyl]-2-methylbutanenitrile
CID 14995199
methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 175518250
methoxy-methyl-triphenyl-λ5-phosphane;hydrochloride
CID 173010059
acetonitrile;cumene
CID 141203612
N-(difluoro-methyl-phenyl-λ5-phosphanyl)-N-ethylethanamine
CID 23235735

Frequently Asked Questions

What is the IUPAC name of gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide?
The IUPAC name of gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide (CID 13222343) is gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide.
What is the SMILES notation for gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide?
The canonical SMILES for gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide is CP(C#N)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].[C-]#N.
What is the InChIKey of gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide?
The InChIKey is OMJVHNHXYICCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NP.CN.Au/c1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2;/h2-16H,1H3;;/q;-1;+1.
What are the key properties of gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide?
gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide has a molecular weight of 526.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide is sourced from PubChem (CID 13222343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).