benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate

C125H110Cl2F3N9O6Pt2S-4 — CID 159734892

About benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate

benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate (PubChem CID 159734892) has the molecular formula C125H110Cl2F3N9O6Pt2S-4 and a molecular weight of 2385.44 g/mol. Its IUPAC name is benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate.

Molecular Properties

• Compound Name: benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate
• PubChem CID: 159734892
• Molecular Formula: C125H110Cl2F3N9O6Pt2S-4
• Molecular Weight: 2385.44 g/mol
• Exact Mass: 2382.70
• IUPAC Name: benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c[n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)cc32)c1.Cl[Pt]Cl.N#Cc1ccccc1.O=S(=O)([O-])C(F)(F)F.[2H][C-]=O.[Pt]
• InChI: InChI=1S/C58H53N4O.C58H51N4O.C7H5N.CHF3O3S.CHO.2ClH.2Pt/c2*1-56(2,3)42-31-32-59-55(36-42)62-51-26-15-14-25-49(51)50-30-29-48(38-54(50)62)63-47-24-18-23-45(37-47)60-39-61(53-28-17-16-27-52(53)60)46-34-43(57(4,5)40-19-10-8-11-20-40)33-44(35-46)58(6,7)41-21-12-9-13-22-41;8-6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7;1-2;;;;/h8-39H,1-7H3;8-36,39H,1-7H3;1-5H;(H,5,6,7);1H;2*1H;;/q+1;-3;;;-1;;;;+2/p-3/i;;;;1D
• InChIKey: QNKRYCWRZRHJEA-HHVZCZSDSA-K
• XLogP: 31.78
• TPSA: 167.45 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2385.44
LogP ≤ 5	31.78
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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The IUPAC name of benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate (CID 159734892) is benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The canonical SMILES for benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c[n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)cc32)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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

The InChIKey is QNKRYCWRZRHJEA-HHVZCZSDSA-K. The full InChI is InChI=1S/C58H53N4O.C58H51N4O.C7H5N.CHF3O3S.CHO.2ClH.2Pt/c2*1-56(2,3)42-31-32-59-55(36-42)62-51-26-15-14-25-49(51)50-30-29-48(38-54(50)62)63-47-24-18-23-45(37-47)60-39-61(53-28-17-16-27-52(53)60)46-34-43(57(4,5)40-19-10-8-11-20-40)33-44(35-46)58(6,7)41-21-12-9-13-22-41;8-6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7;1-2;;;;/h8-39H,1-7H3;8-36,39H,1-7H3;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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate?

benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate has a molecular weight of 2385.44 g/mol, XLogP of 31.78, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzonitrile;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;deuteriomethanone;dichloroplatinum;platinum;trifluoromethanesulfonate is sourced from PubChem (CID 159734892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).