2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole

C173H161F12N19Pt4 — CID 162287458

About 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole

2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole (PubChem CID 162287458) has the molecular formula C173H161F12N19Pt4 and a molecular weight of 3514.61 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole.

Molecular Properties

• Compound Name: 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole
• PubChem CID: 162287458
• Molecular Formula: C173H161F12N19Pt4
• Molecular Weight: 3514.61 g/mol
• Exact Mass: 3512.16
• IUPAC Name: 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole
• SMILES: CCCCc1ccc(-c2c[c-]c(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(-c6ccc(CCCC)cc6)c(C(F)(F)F)c5)n4)n3)cc2C)cc1.CCCCc1ccc(-c2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(C#N)c(-c6ccc(CCCC)cc6)c5)n4)n3)[c-]cc2C#N)cc1.CCCc1ccc(-c2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(C(F)(F)F)c(-c6ccc(CCC)cc6)c5)n4)n3)[c-]cc2C(F)(F)F)cc1.Cc1cnn(-c2[c-]c(N(c3[c-]c(-n4cc(C(F)(F)F)cn4)c(-c4ccccc4)cc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc2-c2ccccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C46H42F3N5.C43H43F3N4.C43H40N6.C41H36F6N4.4Pt/c1-31-27-50-52(29-31)42-25-37(18-20-40(42)32-14-10-8-11-15-32)54(39-23-34(44(2,3)4)22-35(24-39)45(5,6)7)38-19-21-41(33-16-12-9-13-17-33)43(26-38)53-30-36(28-51-53)46(47,48)49;1-6-8-10-31-12-16-33(17-13-31)37-22-20-35(28-30(37)3)49-26-24-40(47-49)42(4,5)41-25-27-50(48-41)36-21-23-38(39(29-36)43(44,45)46)34-18-14-32(15-19-34)11-9-7-2;1-5-7-9-31-11-15-33(16-12-31)39-27-37(21-19-35(39)29-44)48-25-23-41(46-48)43(3,4)42-24-26-49(47-42)38-22-20-36(30-45)40(28-38)34-17-13-32(14-18-34)10-8-6-2;1-5-7-27-9-13-29(14-10-27)33-25-31(17-19-35(33)40(42,43)44)50-23-21-37(48-50)39(3,4)38-22-24-51(49-38)32-18-20-36(41(45,46)47)34(26-32)30-15-11-28(8-6-2)12-16-30;;;;/h8-24,27-30H,1-7H3;12-19,22-29H,6-11H2,1-5H3;11-20,23-28H,5-10H2,1-4H3;9-16,19-26H,5-8H2,1-4H3;;;;/q4*-2;4*+2
• InChIKey: FZELWTAOCJSUKC-UHFFFAOYSA-N
• XLogP: 44.71
• TPSA: 193.38 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 41
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3514.61
LogP ≤ 5	44.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole?

The IUPAC name of 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole (CID 162287458) is 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole.

What is the SMILES notation for 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole?

The canonical SMILES for 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole is CCCCc1ccc(-c2c[c-]c(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(-c6ccc(CCCC)cc6)c(C(F)(F)F)c5)n4)n3)cc2C)cc1.CCCCc1ccc(-c2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(C#N)c(-c6ccc(CCCC)cc6)c5)n4)n3)[c-]cc2C#N)cc1.CCCc1ccc(-c2cc(-n3ccc(C(C)(C)c4ccn(-c5[c-]cc(C(F)(F)F)c(-c6ccc(CCC)cc6)c5)n4)n3)[c-]cc2C(F)(F)F)cc1.Cc1cnn(-c2[c-]c(N(c3[c-]c(-n4cc(C(F)(F)F)cn4)c(-c4ccccc4)cc3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc2-c2ccccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole?

The InChIKey is FZELWTAOCJSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42F3N5.C43H43F3N4.C43H40N6.C41H36F6N4.4Pt/c1-31-27-50-52(29-31)42-25-37(18-20-40(42)32-14-10-8-11-15-32)54(39-23-34(44(2,3)4)22-35(24-39)45(5,6)7)38-19-21-41(33-16-12-9-13-17-33)43(26-38)53-30-36(28-51-53)46(47,48)49;1-6-8-10-31-12-16-33(17-13-31)37-22-20-35(28-30(37)3)49-26-24-40(47-49)42(4,5)41-25-27-50(48-41)36-21-23-38(39(29-36)43(44,45)46)34-18-14-32(15-19-34)11-9-7-2;1-5-7-9-31-11-15-33(16-12-31)39-27-37(21-19-35(39)29-44)48-25-23-41(46-48)43(3,4)42-24-26-49(47-42)38-22-20-36(30-45)40(28-38)34-17-13-32(14-18-34)10-8-6-2;1-5-7-27-9-13-29(14-10-27)33-25-31(17-19-35(33)40(42,43)44)50-23-21-37(48-50)39(3,4)38-22-24-51(49-38)32-18-20-36(41(45,46)47)34(26-32)30-15-11-28(8-6-2)12-16-30;;;;/h8-24,27-30H,1-7H3;12-19,22-29H,6-11H2,1-5H3;11-20,23-28H,5-10H2,1-4H3;9-16,19-26H,5-8H2,1-4H3;;;;/q4*-2;4*+2.

What are the key properties of 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole?

2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole has a molecular weight of 3514.61 g/mol, XLogP of 44.71, 41 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butylphenyl)-4-[3-[2-[1-[3-(4-butylphenyl)-4-cyanobenzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-5-ide-1-carbonitrile;1-[4-(4-butylphenyl)-3-methylbenzene-6-id-1-yl]-3-[2-[1-[4-(4-butylphenyl)-3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole;N-(3,5-ditert-butylphenyl)-3-(4-methylpyrazol-1-yl)-4-phenyl-N-[4-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]benzene-2-id-1-amine;tetrakis(platinum(2+));1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(4-propylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole is sourced from PubChem (CID 162287458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).