Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate

C₁₀₅H₁₀₂Cl₂F₃N₉O₆Pt₂S-4 — CID 159031662

About Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate

Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate (PubChem CID 159031662) has the molecular formula C₁₀₅H₁₀₂Cl₂F₃N₉O₆Pt₂S-4 and a molecular weight of 2137.16 g/mol. Its IUPAC name is benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate.

Molecular Properties

• Compound Name: Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate
• PubChem CID: 159031662
• Molecular Formula: C₁₀₅H₁₀₂Cl₂F₃N₉O₆Pt₂S-4
• Molecular Weight: 2137.16 g/mol
• Exact Mass: 2134.64
• IUPAC Name: benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2c[n+](-c3cccc(C(C)(C)C)c3)c3ccccc32)c1.Cl[Pt]Cl.N#Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[2H][C-]=O.[Pt]
• InChI: InChI=1S/C48H49N4O.C48H47N4O.C7H5N.CHF3O3S.CHO.2ClH.2Pt/c2*1-46(2,3)32-15-14-16-35(25-32)50-31-51(43-20-13-12-19-42(43)50)36-26-34(48(7,8)9)27-38(29-36)53-37-21-22-40-39-17-10-11-18-41(39)52(44(40)30-37)45-28-33(23-24-49-45)47(4,5)6;8-6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7;1-2;;;;/h10-31H,1-9H3;10-28,31H,1-9H3;1-5H;(H,5,6,7);1H;2*1H;;/q+1;-3;;;-1;;;;+2/p-3/i;;;;1D
• InChIKey: CFLBZBZJVRPJHW-HHVZCZSDSA-K
• XLogP: 27.67
• TPSA: 167.45 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.16
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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 Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The IUPAC name of Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate (CID 159031662) is benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate.

What is the SMILES notation for Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The canonical SMILES for Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2c[n+](-c3cccc(C(C)(C)C)c3)c3ccccc32)c1.Cl[Pt]Cl.N#Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[2H][C-]=O.[Pt].

What is the InChIKey of Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The InChIKey is CFLBZBZJVRPJHW-HHVZCZSDSA-K. The full InChI is InChI=1S/C48H49N4O.C48H47N4O.C7H5N.CHF3O3S.CHO.2ClH.2Pt/c2*1-46(2,3)32-15-14-16-35(25-32)50-31-51(43-20-13-12-19-42(43)50)36-26-34(48(7,8)9)27-38(29-36)53-37-21-22-40-39-17-10-11-18-41(39)52(44(40)30-37)45-28-33(23-24-49-45)47(4,5)6;8-6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7;1-2;;;;/h10-31H,1-9H3;10-28,31H,1-9H3;1-5H;(H,5,6,7);1H;2*1H;;/q+1;-3;;;-1;;;;+2/p-3/i;;;;1D;;;;.

What are the key properties of Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate has a molecular weight of 2137.16 g/mol, XLogP of 27.67, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Benzonitrile;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate is sourced from PubChem (CID 159031662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159031662 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.