1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))

C187H138F10N26Pt5 — CID 158572118

About 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))

1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) (PubChem CID 158572118) has the molecular formula C187H138F10N26Pt5 and a molecular weight of 3914.71 g/mol. Its IUPAC name is 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))
• PubChem CID: 158572118
• Molecular Formula: C187H138F10N26Pt5
• Molecular Weight: 3914.71 g/mol
• Exact Mass: 3911.97
• IUPAC Name: 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))
• SMILES: CC(C)(C)c1cc[c-]c(-n2nc(C(C)(C)c3nn(-c4[c-]ccc(C(C)(C)C)c4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1.CC(c1ccccc1)(c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1)c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1.[C-]#[N+]c1c(F)c[c-]c(-n2cc(C)c(CCc3nn(-c4[c-]cc(F)c(C#N)c4F)cc3C)n2)c1F.[C-]#[N+]c1cc[c-]c(-n2nc(C(C)(C)c3nn(-c4[c-]ccc(C#N)c4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1.[C-]#[N+]c1ccccc1-c1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1-c1ccccc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C53H50N4.C47H32N6.C35H24N6.C28H18F6N4.C24H14F4N6.5Pt/c1-51(2,3)41-31-21-33-43(35-41)56-47(39-27-17-11-18-28-39)45(37-23-13-9-14-24-37)49(54-56)53(7,8)50-46(38-25-15-10-16-26-38)48(40-29-19-12-20-30-40)57(55-50)44-34-22-32-42(36-44)52(4,5)6;1-47(2,45-41(34-19-8-4-9-20-34)43(36-23-12-6-13-24-36)52(50-45)39-28-16-18-33(30-39)32-48)46-42(35-21-10-5-11-22-35)44(37-25-14-7-15-26-37)53(51-46)40-29-17-27-38(31-40)49-3;1-35(2,33-30(28-19-11-10-14-25(28)22-36)23-40(38-33)26-15-6-4-7-16-26)34-31(29-20-12-13-21-32(29)37-3)24-41(39-34)27-17-8-5-9-18-27;1-26(19-7-3-2-4-8-19,24-13-15-37(35-24)22-11-5-9-20(17-22)27(29,30)31)25-14-16-38(36-25)23-12-6-10-21(18-23)28(32,33)34;1-13-11-33(20-8-4-16(25)15(10-29)22(20)27)31-18(13)6-7-19-14(2)12-34(32-19)21-9-5-17(26)24(30-3)23(21)28;;;;;/h9-32,35-36H,1-8H3;4-27,30-31H,1-2H3;4-15,17,19-21,23-24H,1-2H3;2-10,13-18H,1H3;4-5,11-12H,6-7H2,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: WERCSSCDRWQQRL-UHFFFAOYSA-N
• XLogP: 44.14
• TPSA: 262.65 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3914.71
LogP ≤ 5	44.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?

The IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) (CID 158572118) is 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)).

What is the SMILES notation for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?

The canonical SMILES for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) is CC(C)(C)c1cc[c-]c(-n2nc(C(C)(C)c3nn(-c4[c-]ccc(C(C)(C)C)c4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1.CC(c1ccccc1)(c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1)c1ccn(-c2[c-]ccc(C(F)(F)F)c2)n1.[C-]#[N+]c1c(F)c[c-]c(-n2cc(C)c(CCc3nn(-c4[c-]cc(F)c(C#N)c4F)cc3C)n2)c1F.[C-]#[N+]c1cc[c-]c(-n2nc(C(C)(C)c3nn(-c4[c-]ccc(C#N)c4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1.[C-]#[N+]c1ccccc1-c1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1-c1ccccc1C#N.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?

The InChIKey is WERCSSCDRWQQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N4.C47H32N6.C35H24N6.C28H18F6N4.C24H14F4N6.5Pt/c1-51(2,3)41-31-21-33-43(35-41)56-47(39-27-17-11-18-28-39)45(37-23-13-9-14-24-37)49(54-56)53(7,8)50-46(38-25-15-10-16-26-38)48(40-29-19-12-20-30-40)57(55-50)44-34-22-32-42(36-44)52(4,5)6;1-47(2,45-41(34-19-8-4-9-20-34)43(36-23-12-6-13-24-36)52(50-45)39-28-16-18-33(30-39)32-48)46-42(35-21-10-5-11-22-35)44(37-25-14-7-15-26-37)53(51-46)40-29-17-27-38(31-40)49-3;1-35(2,33-30(28-19-11-10-14-25(28)22-36)23-40(38-33)26-15-6-4-7-16-26)34-31(29-20-12-13-21-32(29)37-3)24-41(39-34)27-17-8-5-9-18-27;1-26(19-7-3-2-4-8-19,24-13-15-37(35-24)22-11-5-9-20(17-22)27(29,30)31)25-14-16-38(36-25)23-12-6-10-21(18-23)28(32,33)34;1-13-11-33(20-8-4-16(25)15(10-29)22(20)27)31-18(13)6-7-19-14(2)12-34(32-19)21-9-5-17(26)24(30-3)23(21)28;;;;;/h9-32,35-36H,1-8H3;4-27,30-31H,1-2H3;4-15,17,19-21,23-24H,1-2H3;2-10,13-18H,1H3;4-5,11-12H,6-7H2,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+))?

1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) has a molecular weight of 3914.71 g/mol, XLogP of 44.14, 32 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butylbenzene-6-id-1-yl)-3-[2-[1-(3-tert-butylbenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazole;3-[3-[2-[1-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-methylpyrazol-3-yl]ethyl]-4-methylpyrazol-1-yl]-2,6-difluorobenzene-4-ide-1-carbonitrile;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)-4,5-diphenylpyrazol-3-yl]propan-2-yl]-4,5-diphenylpyrazol-1-yl]benzene-4-ide-1-carbonitrile;2-[3-[2-[4-(2-isocyanophenyl)-1-phenylpyrazol-3-yl]propan-2-yl]-1-phenylpyrazol-4-yl]benzonitrile;3-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;pentakis(platinum(2+)) is sourced from PubChem (CID 158572118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).