1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))

C155H106F10N22O2Pt5 — CID 161220042

IUPAC1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))
SMILESCC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.[C-]#[N+]c1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc2oc3ccccc3c2cc1-n1ccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cc4oc5ccccc5c4c3)n2)n1
InChIInChI=1S/C43H26N4O2.C35H24F6N4.C33H26N4.C23H16N6.C21H14F4N4.5Pt/c1-3-11-29(12-4-1)43(30-13-5-2-6-14-30,41-23-25-46(44-41)31-19-21-39-35(27-31)33-15-7-9-17-37(33)48-39)42-24-26-47(45-42)32-20-22-40-36(28-32)34-16-8-10-18-38(34)49-40;1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;1-33(2,31-29(25-15-7-3-8-16-25)23-36(34-31)27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(35-32)28-21-13-6-14-22-28;1-23(2,21-17(14-24)15-28(26-21)18-10-6-4-7-11-18)22-20(25-3)16-29(27-22)19-12-8-5-9-13-19;1-21(2,19-7-9-28(26-19)17-5-3-13(22)11-15(17)24)20-8-10-29(27-20)18-6-4-14(23)12-16(18)25;;;;;/h1-18,21-28H;3-17,19,21-22H,1-2H3;3-19,21,23-24H,1-2H3;4-10,12,15-16H,1-2H3;3-4,7-12H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyCQJVSWJYFYSCSU-UHFFFAOYSA-N
MW3474.07 g/mol
LogP35.45
Rot. Bonds26

About 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))

1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) (PubChem CID 161220042) has the molecular formula C155H106F10N22O2Pt5 and a molecular weight of 3474.07 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)).

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))
PubChem CID161220042
Molecular FormulaC155H106F10N22O2Pt5
Molecular Weight3474.07 g/mol
Exact Mass3471.69
IUPAC Name1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))
SMILESCC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.[C-]#[N+]c1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc2oc3ccccc3c2cc1-n1ccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cc4oc5ccccc5c4c3)n2)n1
InChIInChI=1S/C43H26N4O2.C35H24F6N4.C33H26N4.C23H16N6.C21H14F4N4.5Pt/c1-3-11-29(12-4-1)43(30-13-5-2-6-14-30,41-23-25-46(44-41)31-19-21-39-35(27-31)33-15-7-9-17-37(33)48-39)42-24-26-47(45-42)32-20-22-40-36(28-32)34-16-8-10-18-38(34)49-40;1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;1-33(2,31-29(25-15-7-3-8-16-25)23-36(34-31)27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(35-32)28-21-13-6-14-22-28;1-23(2,21-17(14-24)15-28(26-21)18-10-6-4-7-11-18)22-20(25-3)16-29(27-22)19-12-8-5-9-13-19;1-21(2,19-7-9-28(26-19)17-5-3-13(22)11-15(17)24)20-8-10-29(27-20)18-6-4-14(23)12-16(18)25;;;;;/h1-18,21-28H;3-17,19,21-22H,1-2H3;3-19,21,23-24H,1-2H3;4-10,12,15-16H,1-2H3;3-4,7-12H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyCQJVSWJYFYSCSU-UHFFFAOYSA-N
XLogP35.45
TPSA232.63 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.07
LogP ≤ 535.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?
The IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) (CID 161220042) is 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)).
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) is CC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1)c1nn(-c2[c-]cc(C(F)(F)F)cc2)cc1-c1ccccc1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.[C-]#[N+]c1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cc2oc3ccccc3c2cc1-n1ccc(C(c2ccccc2)(c2ccccc2)c2ccn(-c3[c-]cc4oc5ccccc5c4c3)n2)n1.
What is the InChIKey of 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?
The InChIKey is CQJVSWJYFYSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O2.C35H24F6N4.C33H26N4.C23H16N6.C21H14F4N4.5Pt/c1-3-11-29(12-4-1)43(30-13-5-2-6-14-30,41-23-25-46(44-41)31-19-21-39-35(27-31)33-15-7-9-17-37(33)48-39)42-24-26-47(45-42)32-20-22-40-36(28-32)34-16-8-10-18-38(34)49-40;1-33(2,31-29(23-9-5-3-6-10-23)21-44(42-31)27-17-13-25(14-18-27)34(36,37)38)32-30(24-11-7-4-8-12-24)22-45(43-32)28-19-15-26(16-20-28)35(39,40)41;1-33(2,31-29(25-15-7-3-8-16-25)23-36(34-31)27-19-11-5-12-20-27)32-30(26-17-9-4-10-18-26)24-37(35-32)28-21-13-6-14-22-28;1-23(2,21-17(14-24)15-28(26-21)18-10-6-4-7-11-18)22-20(25-3)16-29(27-22)19-12-8-5-9-13-19;1-21(2,19-7-9-28(26-19)17-5-3-13(22)11-15(17)24)20-8-10-29(27-20)18-6-4-14(23)12-16(18)25;;;;;/h1-18,21-28H;3-17,19,21-22H,1-2H3;3-19,21,23-24H,1-2H3;4-10,12,15-16H,1-2H3;3-4,7-12H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?
1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) has a molecular weight of 3474.07 g/mol, XLogP of 35.45, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-2-yl)-3-[[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]-diphenylmethyl]pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3-[2-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazole;3-[2-(4-isocyano-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole-4-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;4-phenyl-3-[2-[4-phenyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) is sourced from PubChem (CID 161220042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).