gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate

C43H32AuF3N2P2S — CID 135083203

IUPACgold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate
SMILESFc1[c-]c(F)cc(F)c1.N#CSP(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+]
InChIInChI=1S/C37H30N2P2S.C6H2F3.Au/c38-31-42-41(35-25-13-4-14-26-35,36-27-15-5-16-28-36,37-29-17-6-18-30-37)39-40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34;7-4-1-5(8)3-6(9)2-4;/h1-30H;1-2H;/q;-1;+1
InChIKeyHFSLZZUPFYDHAG-UHFFFAOYSA-N
MW924.72 g/mol
LogP9.64
Rot. Bonds8

About gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate

gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate (PubChem CID 135083203) has the molecular formula C43H32AuF3N2P2S and a molecular weight of 924.72 g/mol. Its IUPAC name is gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate.

Molecular Properties

Compound Namegold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate
PubChem CID135083203
Molecular FormulaC43H32AuF3N2P2S
Molecular Weight924.72 g/mol
Exact Mass924.14
IUPAC Namegold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate
SMILESFc1[c-]c(F)cc(F)c1.N#CSP(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+]
InChIInChI=1S/C37H30N2P2S.C6H2F3.Au/c38-31-42-41(35-25-13-4-14-26-35,36-27-15-5-16-28-36,37-29-17-6-18-30-37)39-40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34;7-4-1-5(8)3-6(9)2-4;/h1-30H;1-2H;/q;-1;+1
InChIKeyHFSLZZUPFYDHAG-UHFFFAOYSA-N
XLogP9.64
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.72
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate with MolForge

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Related Compounds

2,5-difluoro-4,6-bis[(triphenyl-lambda5-phosphanylidene)amino]benzene-1,3-dicarbonitrile
CID 15802022
(2,3,4,5,6-pentafluorophenyl)imino-triphenyl-λ5-phosphane
CID 71362132
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
CID 134901253
1,3-difluoro-5-methylbenzene-6-ide;yttrium
CID 58665383
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617
2,3,4,5,6-pentafluoro-N-[(2,3,4,5,6-pentafluorophenyl)imino-diphenyl-λ5-phosphanyl]aniline
CID 86033808
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
acetonitrile;fluorobenzene
CID 161293725
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
methyl 2-(3-cyano-5-fluoroanilino)-2-phenylacetate
CID 102816133

Frequently Asked Questions

What is the IUPAC name of gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate?
The IUPAC name of gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate (CID 135083203) is gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate.
What is the SMILES notation for gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate?
The canonical SMILES for gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate is Fc1[c-]c(F)cc(F)c1.N#CSP(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au+].
What is the InChIKey of gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate?
The InChIKey is HFSLZZUPFYDHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2P2S.C6H2F3.Au/c38-31-42-41(35-25-13-4-14-26-35,36-27-15-5-16-28-36,37-29-17-6-18-30-37)39-40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34;7-4-1-5(8)3-6(9)2-4;/h1-30H;1-2H;/q;-1;+1.
What are the key properties of gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate?
gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate has a molecular weight of 924.72 g/mol, XLogP of 9.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate is sourced from PubChem (CID 135083203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).