dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C116H106Cl2F3N26O4Os2P2Pt3 — CID 158980344

IUPACdichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+2].[Os+5].[Pt+2].[Pt]
InChIInChI=1S/C21H21N2.2C13H13P.C10H8N2.C9H5F3N3.2C9H8N3.3C8H7N4.C6H5NO2.2CHO.2ClH.2Os.3Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-10(12-11-8)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;2*1-2;;;;;;;/h4-7,9,11-12,15H,8,10H2,1-3H3;2*2-11H,1H3;2-5,7H,1H3;1-5H;2*2-6H,1H3;3*2-5H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;/q-1;;;-2;6*-1;;2*-1;;;+2;+5;;2*+2
InChIKeyWUJWWJFGMSDFGL-UHFFFAOYSA-N
MW3083.84 g/mol
LogP20.76
Rot. Bonds13

About dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158980344) has the molecular formula C116H106Cl2F3N26O4Os2P2Pt3 and a molecular weight of 3083.84 g/mol. Its IUPAC name is dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namedichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158980344
Molecular FormulaC116H106Cl2F3N26O4Os2P2Pt3
Molecular Weight3083.84 g/mol
Exact Mass3084.59
IUPAC Namedichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+2].[Os+5].[Pt+2].[Pt]
InChIInChI=1S/C21H21N2.2C13H13P.C10H8N2.C9H5F3N3.2C9H8N3.3C8H7N4.C6H5NO2.2CHO.2ClH.2Os.3Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-10(12-11-8)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;2*1-2;;;;;;;/h4-7,9,11-12,15H,8,10H2,1-3H3;2*2-11H,1H3;2-5,7H,1H3;1-5H;2*2-6H,1H3;3*2-5H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;/q-1;;;-2;6*-1;;2*-1;;;+2;+5;;2*+2
InChIKeyWUJWWJFGMSDFGL-UHFFFAOYSA-N
XLogP20.76
TPSA416.26 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003083.84
LogP ≤ 520.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158980344) is dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+2].[Os+5].[Pt+2].[Pt].
What is the InChIKey of dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is WUJWWJFGMSDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2.2C13H13P.C10H8N2.C9H5F3N3.2C9H8N3.3C8H7N4.C6H5NO2.2CHO.2ClH.2Os.3Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-10(12-11-8)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;2*1-2;;;;;;;/h4-7,9,11-12,15H,8,10H2,1-3H3;2*2-11H,1H3;2-5,7H,1H3;1-5H;2*2-6H,1H3;3*2-5H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;/q-1;;;-2;6*-1;;2*-1;;;+2;+5;;2*+2.
What are the key properties of dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3083.84 g/mol, XLogP of 20.76, 13 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158980344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).