platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide

C19H12F6N6Pt — CID 142973453

IUPACplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide
SMILES[H]/N=C(/C=C(\[NH-])c1cccc(Cc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2]
InChIInChI=1S/C19H12F6N6.Pt/c20-18(21,22)16(27)8-12(26)13-5-1-3-10(28-13)7-11-4-2-6-14(29-11)15-9-17(31-30-15)19(23,24)25;/h1-6,8-9,26-27H,7H2;/q-2;+2/b12-8-,27-16-;
InChIKeyPITNOLIIRMBJSS-ZIRBBQJGSA-N
MW633.41 g/mol
LogP5.08
Rot. Bonds5

About platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide

platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide (PubChem CID 142973453) has the molecular formula C19H12F6N6Pt and a molecular weight of 633.41 g/mol. Its IUPAC name is platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide.

Molecular Properties

Compound Nameplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide
PubChem CID142973453
Molecular FormulaC19H12F6N6Pt
Molecular Weight633.41 g/mol
Exact Mass633.07
IUPAC Nameplatinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide
SMILES[H]/N=C(/C=C(\[NH-])c1cccc(Cc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2]
InChIInChI=1S/C19H12F6N6.Pt/c20-18(21,22)16(27)8-12(26)13-5-1-3-10(28-13)7-11-4-2-6-14(29-11)15-9-17(31-30-15)19(23,24)25;/h1-6,8-9,26-27H,7H2;/q-2;+2/b12-8-,27-16-;
InChIKeyPITNOLIIRMBJSS-ZIRBBQJGSA-N
XLogP5.08
TPSA100.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis[3-(trifluoromethyl)pyrazol-5-YL]pyridine
CID 54772444
2,6-Bis((3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl)methyl)pyridine
CID 122630463
[H2B(3,5-(CF3)2Pz)2]Cu(collidine)
CID 139130952
[H2B(3,5-(CF3)2Pz)2]Ag(2,4,6-collidine)
CID 139130953
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
Platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]pyridine
CID 57796182
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57797068
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58675840
3-Methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide
CID 58711210
Platinum(2+);2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyrazol-1-ide)
CID 58711211
3,5-Bis(trifluoromethyl)pyrazol-1-ide;2-pyridin-2-ylpyridine;rhenium
CID 58880975
3,5-Bis(trifluoromethyl)pyrazol-1-ide;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum(2+)
CID 59022114

Frequently Asked Questions

What is the IUPAC name of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide?
The IUPAC name of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide (CID 142973453) is platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide.
What is the SMILES notation for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide?
The canonical SMILES for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide is [H]/N=C(/C=C(\[NH-])c1cccc(Cc2cccc(-c3cc(C(F)(F)F)n[n-]3)n2)n1)C(F)(F)F.[Pt+2].
What is the InChIKey of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide?
The InChIKey is PITNOLIIRMBJSS-ZIRBBQJGSA-N. The full InChI is InChI=1S/C19H12F6N6.Pt/c20-18(21,22)16(27)8-12(26)13-5-1-3-10(28-13)7-11-4-2-6-14(29-11)15-9-17(31-30-15)19(23,24)25;/h1-6,8-9,26-27H,7H2;/q-2;+2/b12-8-,27-16-;.
What are the key properties of platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide?
platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide has a molecular weight of 633.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-2-pyridinyl]but-1-enyl]azanide is sourced from PubChem (CID 142973453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).