2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))

C95H42F28N26OPt4S — CID 158947581

IUPAC2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))
SMILESFC(F)(F)c1c(-c2ccccc2)n[c-]n1-c1cccc(C(c2ccccc2)c2cccc(-n3[c-]nc(-c4ccccc4)c3C(F)(F)F)n2)n1.FC(F)(F)c1n[c-]n(-c2cccc(Sc3cccc(-n4[c-]nc(C(F)(F)F)c4C(F)(F)F)n3)n2)c1C(F)(F)F.Fc1n[c-]n(-c2cccc(Cc3cccc(-n4[c-]nc(F)c4F)n3)n2)c1F.[C-]#[N+]c1n[c-]n(-c2cccc(C(=O)c3cccc(-n4[c-]nc(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C37H22F6N6.C21H6F6N8O.C20H6F12N6S.C17H8F4N6.4Pt/c38-36(39,40)34-32(25-14-6-2-7-15-25)44-22-48(34)29-20-10-18-27(46-29)31(24-12-4-1-5-13-24)28-19-11-21-30(47-28)49-23-45-33(35(49)37(41,42)43)26-16-8-3-9-17-26;1-29-19-18(21(25,26)27)35(10-31-19)15-7-3-5-12(33-15)16(36)11-4-2-6-14(32-11)34-9-30-13(8-28)17(34)20(22,23)24;21-17(22,23)13-15(19(27,28)29)37(7-33-13)9-3-1-5-11(35-9)39-12-6-2-4-10(36-12)38-8-34-14(18(24,25)26)16(38)20(30,31)32;18-14-16(20)26(8-22-14)12-5-1-3-10(24-12)7-11-4-2-6-13(25-11)27-9-23-15(19)17(27)21;;;;/h1-21,31H;2-7H;1-6H;1-6H,7H2;;;;/q4*-2;4*+2
InChIKeyRCKZSUBIVWSMEB-UHFFFAOYSA-N
MW2907.88 g/mol
LogP22.40
Rot. Bonds19

About 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))

2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) (PubChem CID 158947581) has the molecular formula C95H42F28N26OPt4S and a molecular weight of 2907.88 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))
PubChem CID158947581
Molecular FormulaC95H42F28N26OPt4S
Molecular Weight2907.88 g/mol
Exact Mass2906.19
IUPAC Name2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))
SMILESFC(F)(F)c1c(-c2ccccc2)n[c-]n1-c1cccc(C(c2ccccc2)c2cccc(-n3[c-]nc(-c4ccccc4)c3C(F)(F)F)n2)n1.FC(F)(F)c1n[c-]n(-c2cccc(Sc3cccc(-n4[c-]nc(C(F)(F)F)c4C(F)(F)F)n3)n2)c1C(F)(F)F.Fc1n[c-]n(-c2cccc(Cc3cccc(-n4[c-]nc(F)c4F)n3)n2)c1F.[C-]#[N+]c1n[c-]n(-c2cccc(C(=O)c3cccc(-n4[c-]nc(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C37H22F6N6.C21H6F6N8O.C20H6F12N6S.C17H8F4N6.4Pt/c38-36(39,40)34-32(25-14-6-2-7-15-25)44-22-48(34)29-20-10-18-27(46-29)31(24-12-4-1-5-13-24)28-19-11-21-30(47-28)49-23-45-33(35(49)37(41,42)43)26-16-8-3-9-17-26;1-29-19-18(21(25,26)27)35(10-31-19)15-7-3-5-12(33-15)16(36)11-4-2-6-14(32-11)34-9-30-13(8-28)17(34)20(22,23)24;21-17(22,23)13-15(19(27,28)29)37(7-33-13)9-3-1-5-11(35-9)39-12-6-2-4-10(36-12)38-8-34-14(18(24,25)26)16(38)20(30,31)32;18-14-16(20)26(8-22-14)12-5-1-3-10(24-12)7-11-4-2-6-13(25-11)27-9-23-15(19)17(27)21;;;;/h1-21,31H;2-7H;1-6H;1-6H,7H2;;;;/q4*-2;4*+2
InChIKeyRCKZSUBIVWSMEB-UHFFFAOYSA-N
XLogP22.40
TPSA290.90 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.88
LogP ≤ 522.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))?
The IUPAC name of 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) (CID 158947581) is 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))?
The canonical SMILES for 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) is FC(F)(F)c1c(-c2ccccc2)n[c-]n1-c1cccc(C(c2ccccc2)c2cccc(-n3[c-]nc(-c4ccccc4)c3C(F)(F)F)n2)n1.FC(F)(F)c1n[c-]n(-c2cccc(Sc3cccc(-n4[c-]nc(C(F)(F)F)c4C(F)(F)F)n3)n2)c1C(F)(F)F.Fc1n[c-]n(-c2cccc(Cc3cccc(-n4[c-]nc(F)c4F)n3)n2)c1F.[C-]#[N+]c1n[c-]n(-c2cccc(C(=O)c3cccc(-n4[c-]nc(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))?
The InChIKey is RCKZSUBIVWSMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6N6.C21H6F6N8O.C20H6F12N6S.C17H8F4N6.4Pt/c38-36(39,40)34-32(25-14-6-2-7-15-25)44-22-48(34)29-20-10-18-27(46-29)31(24-12-4-1-5-13-24)28-19-11-21-30(47-28)49-23-45-33(35(49)37(41,42)43)26-16-8-3-9-17-26;1-29-19-18(21(25,26)27)35(10-31-19)15-7-3-5-12(33-15)16(36)11-4-2-6-14(32-11)34-9-30-13(8-28)17(34)20(22,23)24;21-17(22,23)13-15(19(27,28)29)37(7-33-13)9-3-1-5-11(35-9)39-12-6-2-4-10(36-12)38-8-34-14(18(24,25)26)16(38)20(30,31)32;18-14-16(20)26(8-22-14)12-5-1-3-10(24-12)7-11-4-2-6-13(25-11)27-9-23-15(19)17(27)21;;;;/h1-21,31H;2-7H;1-6H;1-6H,7H2;;;;/q4*-2;4*+2.
What are the key properties of 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+))?
2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) has a molecular weight of 2907.88 g/mol, XLogP of 22.40, 19 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[[6-[4,5-bis(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]sulfanyl]pyridine;2-(4,5-difluoro-2H-imidazol-2-id-1-yl)-6-[[6-(4,5-difluoro-2H-imidazol-2-id-1-yl)-2-pyridinyl]methyl]pyridine;1-[6-[6-[4-isocyano-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine-2-carbonyl]-2-pyridinyl]-5-(trifluoromethyl)-2H-imidazol-2-ide-4-carbonitrile;2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;tetrakis(platinum(2+)) is sourced from PubChem (CID 158947581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).