1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide

C105H64F6N40Pt4 — CID 158605076

About 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide

1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide (PubChem CID 158605076) has the molecular formula C105H64F6N40Pt4 and a molecular weight of 2780.25 g/mol. Its IUPAC name is 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide.

Molecular Properties

• Compound Name: 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide
• PubChem CID: 158605076
• Molecular Formula: C105H64F6N40Pt4
• Molecular Weight: 2780.25 g/mol
• Exact Mass: 2778.47
• IUPAC Name: 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide
• SMILES: FC(F)(F)C(c1cccc(-n2[c-]nc3ccccc32)n1)(c1ccnc(-n2[c-]nc3ccccc32)n1)C(F)(F)F.[C-]#[N+]C(C)(c1cccc(-n2[c-]nc3c(C)ncnc32)n1)c1cccc(-n2[c-]nc3c(C)ncnc32)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1nc2nccnc2n1-c1cncc(C(c2ccccc2)(c2ccccc2)c2cncc(-n3[c-]nc4nccnc43)n2)n1.[c-]1nc2ncncc2n1-c1cccc(CCCc2cccc(-n3[c-]nc4ncncc43)n2)n1
• InChI: InChI=1S/C31H18N12.C26H13F6N7.C25H17N11.C23H16N10.4Pt/c1-3-7-21(8-4-1)31(22-9-5-2-6-10-22,23-15-32-17-25(40-23)42-19-38-27-29(42)36-13-11-34-27)24-16-33-18-26(41-24)43-20-39-28-30(43)37-14-12-35-28;27-25(28,29)24(26(30,31)32,20-10-5-11-22(36-20)38-14-34-16-6-1-3-8-18(16)38)21-12-13-33-23(37-21)39-15-35-17-7-2-4-9-19(17)39;1-15-21-23(29-11-27-15)35(13-31-21)19-9-5-7-17(33-19)25(3,26-4)18-8-6-10-20(34-18)36-14-32-22-16(2)28-12-30-24(22)36;1(4-16-6-2-8-20(30-16)32-14-28-22-18(32)10-24-12-26-22)5-17-7-3-9-21(31-17)33-15-29-23-19(33)11-25-13-27-23;;;;/h1-18H;1-13H;5-12H,1-3H3;2-3,6-13H,1,4-5H2;;;;/q4*-2;4*+2
• InChIKey: ZTLKRRYZAIJKLU-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 443.39 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.25
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide?

The IUPAC name of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide (CID 158605076) is 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide.

What is the SMILES notation for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide?

The canonical SMILES for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide is FC(F)(F)C(c1cccc(-n2[c-]nc3ccccc32)n1)(c1ccnc(-n2[c-]nc3ccccc32)n1)C(F)(F)F.[C-]#[N+]C(C)(c1cccc(-n2[c-]nc3c(C)ncnc32)n1)c1cccc(-n2[c-]nc3c(C)ncnc32)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1nc2nccnc2n1-c1cncc(C(c2ccccc2)(c2ccccc2)c2cncc(-n3[c-]nc4nccnc43)n2)n1.[c-]1nc2ncncc2n1-c1cccc(CCCc2cccc(-n3[c-]nc4ncncc43)n2)n1.

What is the InChIKey of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide?

The InChIKey is ZTLKRRYZAIJKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N12.C26H13F6N7.C25H17N11.C23H16N10.4Pt/c1-3-7-21(8-4-1)31(22-9-5-2-6-10-22,23-15-32-17-25(40-23)42-19-38-27-29(42)36-13-11-34-27)24-16-33-18-26(41-24)43-20-39-28-30(43)37-14-12-35-28;27-25(28,29)24(26(30,31)32,20-10-5-11-22(36-20)38-14-34-16-6-1-3-8-18(16)38)21-12-13-33-23(37-21)39-15-35-17-7-2-4-9-19(17)39;1-15-21-23(29-11-27-15)35(13-31-21)19-9-5-7-17(33-19)25(3,26-4)18-8-6-10-20(34-18)36-14-32-22-16(2)28-12-30-24(22)36;1(4-16-6-2-8-20(30-16)32-14-28-22-18(32)10-24-12-26-22)5-17-7-3-9-21(31-17)33-15-29-23-19(33)11-25-13-27-23;;;;/h1-18H;1-13H;5-12H,1-3H3;2-3,6-13H,1,4-5H2;;;;/q4*-2;4*+2.

What are the key properties of 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide?

1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide has a molecular weight of 2780.25 g/mol, XLogP of 14.70, 20 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-(2H-benzimidazol-2-id-1-yl)-2-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyrimidin-2-yl]-2H-benzimidazol-2-ide;3-[6-[[6-(2H-imidazo[4,5-b]pyrazin-2-id-3-yl)pyrazin-2-yl]-diphenylmethyl]pyrazin-2-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;9-[6-[1-isocyano-1-[6-(6-methyl-8H-purin-8-id-9-yl)-2-pyridinyl]ethyl]-2-pyridinyl]-6-methyl-8H-purin-8-ide;tetrakis(platinum(2+));7-[6-[3-[6-(8H-purin-8-id-7-yl)-2-pyridinyl]propyl]-2-pyridinyl]-8H-purin-8-ide is sourced from PubChem (CID 158605076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).