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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))

C143H102F10N22Pt5 — CID 157134414

IUPAC1-(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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))
SMILESCC(C)(c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1)c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1.CC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.FC(F)(F)c1c[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cc(C(F)(F)F)cc4)n3)n2)cc1.[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]
InChIInChI=1S/C33H20F6N4.2C33H26N4.C23H16N6.C21H14F4N4.5Pt/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39;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;1-33(2,31-23-29(25-15-7-3-8-16-25)36(34-31)27-19-11-5-12-20-27)32-24-30(26-17-9-4-10-18-26)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;;;;;/h1-15,17,19-22H;2*3-19,21,23-24H,1-2H3;4-10,12,15-16H,1-2H3;3-4,7-12H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKJKLEQXLYRLBBD-UHFFFAOYSA-N
MW3293.91 g/mol
LogP31.65
Rot. Bonds26

About 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))

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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) (PubChem CID 157134414) has the molecular formula C143H102F10N22Pt5 and a molecular weight of 3293.91 g/mol. Its IUPAC name is 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)).

Molecular Properties

Compound Name1-(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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))
PubChem CID157134414
Molecular FormulaC143H102F10N22Pt5
Molecular Weight3293.91 g/mol
Exact Mass3291.67
IUPAC Name1-(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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))
SMILESCC(C)(c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1)c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1.CC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.FC(F)(F)c1c[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cc(C(F)(F)F)cc4)n3)n2)cc1.[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]
InChIInChI=1S/C33H20F6N4.2C33H26N4.C23H16N6.C21H14F4N4.5Pt/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39;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;1-33(2,31-23-29(25-15-7-3-8-16-25)36(34-31)27-19-11-5-12-20-27)32-24-30(26-17-9-4-10-18-26)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;;;;;/h1-15,17,19-22H;2*3-19,21,23-24H,1-2H3;4-10,12,15-16H,1-2H3;3-4,7-12H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKJKLEQXLYRLBBD-UHFFFAOYSA-N
XLogP31.65
TPSA206.35 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.91
LogP ≤ 531.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))?
The IUPAC name of 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) (CID 157134414) is 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)).
What is the SMILES notation for 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))?
The canonical SMILES for 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) is CC(C)(c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1)c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1.CC(C)(c1ccn(-c2[c-]cc(F)cc2F)n1)c1ccn(-c2[c-]cc(F)cc2F)n1.CC(C)(c1nn(-c2[c-]cccc2)cc1-c1ccccc1)c1nn(-c2[c-]cccc2)cc1-c1ccccc1.FC(F)(F)c1c[c-]c(-n2ccc(C(c3ccccc3)(c3ccccc3)c3ccn(-c4[c-]cc(C(F)(F)F)cc4)n3)n2)cc1.[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].
What is the InChIKey of 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))?
The InChIKey is KJKLEQXLYRLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N4.2C33H26N4.C23H16N6.C21H14F4N4.5Pt/c34-32(35,36)25-11-15-27(16-12-25)42-21-19-29(40-42)31(23-7-3-1-4-8-23,24-9-5-2-6-10-24)30-20-22-43(41-30)28-17-13-26(14-18-28)33(37,38)39;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;1-33(2,31-23-29(25-15-7-3-8-16-25)36(34-31)27-19-11-5-12-20-27)32-24-30(26-17-9-4-10-18-26)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;;;;;/h1-15,17,19-22H;2*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-(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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+))?
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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) has a molecular weight of 3293.91 g/mol, XLogP of 31.65, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[diphenyl-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]methyl]-1-[4-(trifluoromethyl)benzene-6-id-1-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;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+)) is sourced from PubChem (CID 157134414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).