Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid

C₁₁₁H₈₂ClF₃N₁₂O₆Pt₃S₂ — CID 158056165

About Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid

Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid (PubChem CID 158056165) has the molecular formula C₁₁₁H₈₂ClF₃N₁₂O₆Pt₃S₂ and a molecular weight of 2421.77 g/mol. Its IUPAC name is benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid.

Molecular Properties

• Compound Name: Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid
• PubChem CID: 158056165
• Molecular Formula: C₁₁₁H₈₂ClF₃N₁₂O₆Pt₃S₂
• Molecular Weight: 2421.77 g/mol
• Exact Mass: 2419.45
• IUPAC Name: benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid
• SMILES: CN1[CH-]N(c2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n3-c2ccccn2)c2ccccc21.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(N2[CH-]N(C)c3ccccc32)[c-]c(-n2c3ccccc3c3cccnc32)c1.Cl[Pt+].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)c1ccccc1.[Pt+2].[Pt+2].[c-]1c(N2c3ccccc3C=Cc3cccnc32)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
• InChI: InChI=1S/C39H30N4.C34H23N4.C31H22N4.C6H6O3S.CHF3O3S.ClH.3Pt/c1-26-20-29(28-12-5-4-6-13-28)21-27(2)38(26)30-22-31(42-25-41(3)36-17-9-10-18-37(36)42)24-32(23-30)43-35-16-8-7-14-33(35)34-15-11-19-40-39(34)43;1-2-8-25(9-3-1)26-15-17-27(18-16-26)30-23-36-37(24-30)31-12-6-13-32(22-31)38-33-14-5-4-10-28(33)19-20-29-11-7-21-35-34(29)38;1-33-21-34(28-12-6-5-11-27(28)33)24-15-17-26-25-16-14-23(22-9-3-2-4-10-22)19-29(25)35(30(26)20-24)31-13-7-8-18-32-31;7-10(8,9)6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;;;;/h4-23,25H,1-3H3;1-21,23-24H;2-19,21H,1H3;1-5H,(H,7,8,9);(H,5,6,7);1H;;;/q-2;-1;-2;;;;3*+2/p-1
• InChIKey: JQIYCJWTRVQHQH-UHFFFAOYSA-M
• XLogP: 27.35
• TPSA: 191.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.77
LogP ≤ 5	27.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid?

The IUPAC name of Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid (CID 158056165) is benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid.

What is the SMILES notation for Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid?

The canonical SMILES for Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid is CN1[CH-]N(c2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n3-c2ccccn2)c2ccccc21.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(N2[CH-]N(C)c3ccccc32)[c-]c(-n2c3ccccc3c3cccnc32)c1.Cl[Pt+].O=S(=O)(O)C(F)(F)F.O=S(=O)(O)c1ccccc1.[Pt+2].[Pt+2].[c-]1c(N2c3ccccc3C=Cc3cccnc32)cccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.

What is the InChIKey of Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid?

The InChIKey is JQIYCJWTRVQHQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H30N4.C34H23N4.C31H22N4.C6H6O3S.CHF3O3S.ClH.3Pt/c1-26-20-29(28-12-5-4-6-13-28)21-27(2)38(26)30-22-31(42-25-41(3)36-17-9-10-18-37(36)42)24-32(23-30)43-35-16-8-7-14-33(35)34-15-11-19-40-39(34)43;1-2-8-25(9-3-1)26-15-17-27(18-16-26)30-23-36-37(24-30)31-12-6-13-32(22-31)38-33-14-5-4-10-28(33)19-20-29-11-7-21-35-34(29)38;1-33-21-34(28-12-6-5-11-27(28)33)24-15-17-26-25-16-14-23(22-9-3-2-4-10-22)19-29(25)35(30(26)20-24)31-13-7-8-18-32-31;7-10(8,9)6-4-2-1-3-5-6;2-1(3,4)8(5,6)7;;;;/h4-23,25H,1-3H3;1-21,23-24H;2-19,21H,1H3;1-5H,(H,7,8,9);(H,5,6,7);1H;;;/q-2;-1;-2;;;;3*+2/p-1.

What are the key properties of Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid?

Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid has a molecular weight of 2421.77 g/mol, XLogP of 27.35, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Benzenesulfonic acid;chloroplatinum(1+);9-[3-(2,6-dimethyl-4-phenylphenyl)-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]pyrido[2,3-b]indole;2-(3-methyl-2H-benzimidazol-2-id-1-yl)-7-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;11-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;bis(platinum(2+));trifluoromethanesulfonic acid is sourced from PubChem (CID 158056165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158056165 — identifiers, structure, computed properties (public domain)

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