3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum

C67H52N6O3Pt2S2-6 — CID 161283563

IUPAC3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum
SMILESCC(C)(C)c1cc(-c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)[n-]n1.Cc1cc(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)[n-]n1.[Pt].[Pt].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1
InChIInChI=1S/C25H20N2O2S.C24H20N2.C9H6NO.C9H6NS.2Pt/c1-25(2,3)24-15-21(26-27-24)17-10-8-16(9-11-17)18-12-13-20-19-6-4-5-7-22(19)30(28,29)23(20)14-18;1-16-13-22(19-7-5-4-6-8-19)14-17(2)24(16)21-11-9-20(10-12-21)23-15-18(3)25-26-23;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h4-10,12-15H,1-3H3;4-9,11-15H,1-3H3;2*1-4,6-7H;;/q2*-2;2*-1;;
InChIKeyAQFZEHYCLLQVGO-UHFFFAOYSA-N
MW1443.48 g/mol
LogP15.80
Rot. Bonds7

About 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum

3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum (PubChem CID 161283563) has the molecular formula C67H52N6O3Pt2S2-6 and a molecular weight of 1443.48 g/mol. Its IUPAC name is 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum.

Molecular Properties

Compound Name3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum
PubChem CID161283563
Molecular FormulaC67H52N6O3Pt2S2-6
Molecular Weight1443.48 g/mol
Exact Mass1442.29
IUPAC Name3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum
SMILESCC(C)(C)c1cc(-c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)[n-]n1.Cc1cc(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)[n-]n1.[Pt].[Pt].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1
InChIInChI=1S/C25H20N2O2S.C24H20N2.C9H6NO.C9H6NS.2Pt/c1-25(2,3)24-15-21(26-27-24)17-10-8-16(9-11-17)18-12-13-20-19-6-4-5-7-22(19)30(28,29)23(20)14-18;1-16-13-22(19-7-5-4-6-8-19)14-17(2)24(16)21-11-9-20(10-12-21)23-15-18(3)25-26-23;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h4-10,12-15H,1-3H3;4-9,11-15H,1-3H3;2*1-4,6-7H;;/q2*-2;2*-1;;
InChIKeyAQFZEHYCLLQVGO-UHFFFAOYSA-N
XLogP15.80
TPSA127.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.48
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum?
The IUPAC name of 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum (CID 161283563) is 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum.
What is the SMILES notation for 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum?
The canonical SMILES for 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum is CC(C)(C)c1cc(-c2[c-]cc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2)[n-]n1.Cc1cc(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)[n-]n1.[Pt].[Pt].[c-]1ccccc1-c1ncco1.[c-]1ccccc1-c1nccs1.
What is the InChIKey of 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum?
The InChIKey is AQFZEHYCLLQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S.C24H20N2.C9H6NO.C9H6NS.2Pt/c1-25(2,3)24-15-21(26-27-24)17-10-8-16(9-11-17)18-12-13-20-19-6-4-5-7-22(19)30(28,29)23(20)14-18;1-16-13-22(19-7-5-4-6-8-19)14-17(2)24(16)21-11-9-20(10-12-21)23-15-18(3)25-26-23;2*1-2-4-8(5-3-1)9-10-6-7-11-9;;/h4-10,12-15H,1-3H3;4-9,11-15H,1-3H3;2*1-4,6-7H;;/q2*-2;2*-1;;.
What are the key properties of 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum?
3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum has a molecular weight of 1443.48 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-tert-butylpyrazol-1-id-5-yl)benzene-5-id-1-yl]dibenzothiophene 5,5-dioxide;3-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyrazol-2-ide;2-phenyl-1,3-oxazole;2-phenyl-1,3-thiazole;platinum is sourced from PubChem (CID 161283563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).