ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine

C26H28N4PtS — CID 145489398

IUPACethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC.CC(C)(c1cccc(-c2[c-]ccnc2)n1)c1cccc(-c2[c-]ccnc2)n1.CS.[Pt+2]
InChIInChI=1S/C23H18N4.C2H6.CH4S.Pt/c1-23(2,21-11-3-9-19(26-21)17-7-5-13-24-15-17)22-12-4-10-20(27-22)18-8-6-14-25-16-18;2*1-2;/h3-6,9-16H,1-2H3;1-2H3;2H,1H3;/q-2;;;+2
InChIKeyRIPQDWTUIUPAOL-UHFFFAOYSA-N
MW623.68 g/mol
LogP6.10
Rot. Bonds4

About ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine

ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 145489398) has the molecular formula C26H28N4PtS and a molecular weight of 623.68 g/mol. Its IUPAC name is ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Nameethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
PubChem CID145489398
Molecular FormulaC26H28N4PtS
Molecular Weight623.68 g/mol
Exact Mass623.17
IUPAC Nameethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC.CC(C)(c1cccc(-c2[c-]ccnc2)n1)c1cccc(-c2[c-]ccnc2)n1.CS.[Pt+2]
InChIInChI=1S/C23H18N4.C2H6.CH4S.Pt/c1-23(2,21-11-3-9-19(26-21)17-7-5-13-24-15-17)22-12-4-10-20(27-22)18-8-6-14-25-16-18;2*1-2;/h3-6,9-16H,1-2H3;1-2H3;2H,1H3;/q-2;;;+2
InChIKeyRIPQDWTUIUPAOL-UHFFFAOYSA-N
XLogP6.10
TPSA51.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.68
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Related Compounds

iridium;3-pyridin-2-yl-4H-pyridin-4-ide
CID 140686819
pentakis(platinum(2+));2-(2H-pyridin-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(3H-pyridin-3-id-2-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(3H-pyridin-3-id-4-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(4H-pyridin-4-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;5-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyrimidin-4-ide
CID 158875921
2-(2,4-difluorobenzene-6-id-1-yl)-6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]pyridine;2-[diphenyl-(6-phenyl-2-pyridinyl)methyl]-6-phenylpyridine;bis(palladium(2+));2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum(2+)
CID 161478360
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
3-(1-methylpyrazol-3-yl)-4H-pyridin-4-ide;platinum
CID 59661624
2-(1-phenyl-4H-pyrazol-4-id-3-yl)-6-[2-[6-(1-phenyl-3H-pyrrol-3-id-4-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 140837726
1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+)
CID 59357331
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CID 140758633
2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;platinum(2+)
CID 153483659
N-phenyl-6-[2-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 59399251
5-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 70990077
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CID 159080163

Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine (CID 145489398) is ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine is CC.CC(C)(c1cccc(-c2[c-]ccnc2)n1)c1cccc(-c2[c-]ccnc2)n1.CS.[Pt+2].
What is the InChIKey of ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is RIPQDWTUIUPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4.C2H6.CH4S.Pt/c1-23(2,21-11-3-9-19(26-21)17-7-5-13-24-15-17)22-12-4-10-20(27-22)18-8-6-14-25-16-18;2*1-2;/h3-6,9-16H,1-2H3;1-2H3;2H,1H3;/q-2;;;+2.
What are the key properties of ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 623.68 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;platinum(2+);2-(4H-pyridin-4-id-3-yl)-6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 145489398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).