bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)

C30H24N4PtS6 — CID 140616791

IUPACbis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)
SMILESS=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.S=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.[Pt+4]
InChIInChI=1S/2C15H14N2S3.Pt/c2*18-13-14(19)17(12-9-5-2-6-10-12)15(20)16(13)11-7-3-1-4-8-11;/h2*1-10,13-14,18-19H;/q;;+4/p-4
InChIKeyFWNYCRPMSZCNKG-UHFFFAOYSA-J
MW828.03 g/mol
LogP6.09
Rot. Bonds4

About bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)

bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+) (PubChem CID 140616791) has the molecular formula C30H24N4PtS6 and a molecular weight of 828.03 g/mol. Its IUPAC name is bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+).

Molecular Properties

Compound Namebis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)
PubChem CID140616791
Molecular FormulaC30H24N4PtS6
Molecular Weight828.03 g/mol
Exact Mass827.00
IUPAC Namebis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)
SMILESS=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.S=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.[Pt+4]
InChIInChI=1S/2C15H14N2S3.Pt/c2*18-13-14(19)17(12-9-5-2-6-10-12)15(20)16(13)11-7-3-1-4-8-11;/h2*1-10,13-14,18-19H;/q;;+4/p-4
InChIKeyFWNYCRPMSZCNKG-UHFFFAOYSA-J
XLogP6.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(5S,9S)-6,8-diphenyl-6,8-diazatricyclo[7.3.0.01,5]dodecane-7-thione
CID 102358261
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
(3aS,6aR)-3-(4-fluorophenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 6979920
3-(4-bromophenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 2945564
(3aR,6aR)-1-ethyl-5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 41064708
3-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-5-thione
CID 170921723
(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione
CID 95988125
(3aS,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-2-thione
CID 39358818
(3aS,7aR)-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-2-thione
CID 11831342
(3aS,6aR)-3-(4-ethoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 6553797
5,5-dioxo-1-phenyl-3-[3-(trifluoromethyl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 2941826
5-(dimethylaminomethylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3648464

Frequently Asked Questions

What is the IUPAC name of bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)?
The IUPAC name of bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+) (CID 140616791) is bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+).
What is the SMILES notation for bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)?
The canonical SMILES for bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+) is S=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.S=C1N(c2ccccc2)C([S-])C([S-])N1c1ccccc1.[Pt+4].
What is the InChIKey of bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)?
The InChIKey is FWNYCRPMSZCNKG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H14N2S3.Pt/c2*18-13-14(19)17(12-9-5-2-6-10-12)15(20)16(13)11-7-3-1-4-8-11;/h2*1-10,13-14,18-19H;/q;;+4/p-4.
What are the key properties of bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+)?
bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+) has a molecular weight of 828.03 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diphenyl-2-sulfanylideneimidazolidine-4,5-dithiolate);platinum(4+) is sourced from PubChem (CID 140616791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).