2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))

C47H36F4N8Pt2 — CID 58756151

IUPAC2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cccc(C(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)(c3cccc(-c4[c-]cc(F)cc4F)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)[n-]n1.[Pt+2].[Pt+2]
InChIInChI=1S/C47H36F4N8.2Pt/c1-45(2,3)43-25-37(56-58-43)35-13-9-17-41(54-35)47(39-15-7-11-33(52-39)29-21-19-27(48)23-31(29)50,40-16-8-12-34(53-40)30-22-20-28(49)24-32(30)51)42-18-10-14-36(55-42)38-26-44(59-57-38)46(4,5)6;;/h7-20,23-26H,1-6H3;;/q-4;2*+2
InChIKeyAFDNKVRZJXVJFE-UHFFFAOYSA-N
MW1179.01 g/mol
LogP9.77
Rot. Bonds8

About 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))

2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) (PubChem CID 58756151) has the molecular formula C47H36F4N8Pt2 and a molecular weight of 1179.01 g/mol. Its IUPAC name is 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)).

Molecular Properties

Compound Name2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))
PubChem CID58756151
Molecular FormulaC47H36F4N8Pt2
Molecular Weight1179.01 g/mol
Exact Mass1178.23
IUPAC Name2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cccc(C(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)(c3cccc(-c4[c-]cc(F)cc4F)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)[n-]n1.[Pt+2].[Pt+2]
InChIInChI=1S/C47H36F4N8.2Pt/c1-45(2,3)43-25-37(56-58-43)35-13-9-17-41(54-35)47(39-15-7-11-33(52-39)29-21-19-27(48)23-31(29)50,40-16-8-12-34(53-40)30-22-20-28(49)24-32(30)51)42-18-10-14-36(55-42)38-26-44(59-57-38)46(4,5)6;;/h7-20,23-26H,1-6H3;;/q-4;2*+2
InChIKeyAFDNKVRZJXVJFE-UHFFFAOYSA-N
XLogP9.77
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.01
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) with MolForge

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Related Compounds

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CID 57573218
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
CID 57603959
2-(2,4-Difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
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Platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine
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Platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine
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2,6-difluoro-3-[6-[2-[6-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
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2,6-difluoro-3-[4-fluoro-6-[2-[4-fluoro-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57852084
2,6-difluoro-3-[4-methyl-6-[2-[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))?
The IUPAC name of 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) (CID 58756151) is 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)).
What is the SMILES notation for 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))?
The canonical SMILES for 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) is CC(C)(C)c1cc(-c2cccc(C(c3cccc(-c4cc(C(C)(C)C)n[n-]4)n3)(c3cccc(-c4[c-]cc(F)cc4F)n3)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)[n-]n1.[Pt+2].[Pt+2].
What is the InChIKey of 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))?
The InChIKey is AFDNKVRZJXVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36F4N8.2Pt/c1-45(2,3)43-25-37(56-58-43)35-13-9-17-41(54-35)47(39-15-7-11-33(52-39)29-21-19-27(48)23-31(29)50,40-16-8-12-34(53-40)30-22-20-28(49)24-32(30)51)42-18-10-14-36(55-42)38-26-44(59-57-38)46(4,5)6;;/h7-20,23-26H,1-6H3;;/q-4;2*+2.
What are the key properties of 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+))?
2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) has a molecular weight of 1179.01 g/mol, XLogP of 9.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]methyl]-6-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(platinum(2+)) is sourced from PubChem (CID 58756151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).