bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))

C36H28Au2P2S2 — CID 162410098

IUPACbis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))
SMILESS=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Au+].[Au+]
InChIInChI=1S/2C18H14PS.2Au/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-14H;;/q2*-1;2*+1
InChIKeyLMEQBERMEAMORB-UHFFFAOYSA-N
MW980.64 g/mol
LogP6.48
Rot. Bonds6

About bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))

bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)) (PubChem CID 162410098) has the molecular formula C36H28Au2P2S2 and a molecular weight of 980.64 g/mol. Its IUPAC name is bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)).

Molecular Properties

Compound Namebis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))
PubChem CID162410098
Molecular FormulaC36H28Au2P2S2
Molecular Weight980.64 g/mol
Exact Mass980.04
IUPAC Namebis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))
SMILESS=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Au+].[Au+]
InChIInChI=1S/2C18H14PS.2Au/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-14H;;/q2*-1;2*+1
InChIKeyLMEQBERMEAMORB-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.64
LogP ≤ 56.48
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

diphenyl-phenyl-sulfanylidene-λ5-phosphane;gold(1+);1-prop-2-ynyl-3,5-diaza-1-azonia-7-phosphoniatricyclo[3.3.1.13,7]decane;bromide
CID 165041474
Diphenylselenothiophosphinic acid
CID 11243432
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane
CID 161049975

Frequently Asked Questions

What is the IUPAC name of bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))?
The IUPAC name of bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)) (CID 162410098) is bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)).
What is the SMILES notation for bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))?
The canonical SMILES for bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)) is S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Au+].[Au+].
What is the InChIKey of bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))?
The InChIKey is LMEQBERMEAMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14PS.2Au/c2*20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-14H;;/q2*-1;2*+1.
What are the key properties of bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+))?
bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)) has a molecular weight of 980.64 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenyl-phenyl-sulfanylidene-λ5-phosphane);bis(gold(1+)) is sourced from PubChem (CID 162410098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).