3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine

C36H33F3N6Pt — CID 157079930

IUPAC3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cc1cc(C)c(-c2ccc(-c3ccc(-c4c(C)cc(C)cc4C)cn3)nc2)c(C)c1.[Pt+2]
InChIInChI=1S/C28H28N2.C8H5F3N4.Pt/c1-17-11-19(3)27(20(4)12-17)23-7-9-25(29-15-23)26-10-8-24(16-30-26)28-21(5)13-18(2)14-22(28)6;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h7-16H,1-6H3;2-3H,1H3;/q;-2;+2
InChIKeyADKOJLRQZYNUFS-UHFFFAOYSA-N
MW801.77 g/mol
LogP8.71
Rot. Bonds4

About 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine

3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine (PubChem CID 157079930) has the molecular formula C36H33F3N6Pt and a molecular weight of 801.77 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
PubChem CID157079930
Molecular FormulaC36H33F3N6Pt
Molecular Weight801.77 g/mol
Exact Mass801.24
IUPAC Name3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cc1cc(C)c(-c2ccc(-c3ccc(-c4c(C)cc(C)cc4C)cn3)nc2)c(C)c1.[Pt+2]
InChIInChI=1S/C28H28N2.C8H5F3N4.Pt/c1-17-11-19(3)27(20(4)12-17)23-7-9-25(29-15-23)26-10-8-24(16-30-26)28-21(5)13-18(2)14-22(28)6;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h7-16H,1-6H3;2-3H,1H3;/q;-2;+2
InChIKeyADKOJLRQZYNUFS-UHFFFAOYSA-N
XLogP8.71
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.77
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine with MolForge

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Related Compounds

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Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
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CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
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2-[2,7-Ditert-butyl-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]fluoren-9-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;dichloromethane;platinum(2+)
CID 139143109
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
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Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
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Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine (CID 157079930) is 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cc1cc(C)c(-c2ccc(-c3ccc(-c4c(C)cc(C)cc4C)cn3)nc2)c(C)c1.[Pt+2].
What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?
The InChIKey is ADKOJLRQZYNUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2.C8H5F3N4.Pt/c1-17-11-19(3)27(20(4)12-17)23-7-9-25(29-15-23)26-10-8-24(16-30-26)28-21(5)13-18(2)14-22(28)6;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h7-16H,1-6H3;2-3H,1H3;/q;-2;+2.
What are the key properties of 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine?
3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine has a molecular weight of 801.77 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 157079930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).