2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate

C242H186F36N24O24Ru4S8 — CID 161372546

IUPAC2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
SMILESCC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccc(C(F)(F)F)cc3)cc(-c3cc(/C=C(/OC=O)c4ccc(C(F)(F)F)cc4)ccn3)n2)c1)c1ccc(C(F)(F)F)cc1.O=CO/C=C/C=C/c1ccnc(-c2cc(/C=C/C=C/OC=O)cc(-c3cc(/C=C/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C45H26F9N3O6.C45H29F6N3O6.C30H29N3O6.C30H23N3O6.C23H20F6NS.2C22H19F6N2S.C21H21F3N3S.4CNS.4Ru/c46-43(47,48)33-7-1-30(2-8-33)40(61-24-58)21-27-13-15-55-36(17-27)38-19-29(23-42(63-26-60)32-5-11-35(12-6-32)45(52,53)54)20-39(57-38)37-18-28(14-16-56-37)22-41(62-25-59)31-3-9-34(10-4-31)44(49,50)51;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;34-21-37-14-4-1-7-24-10-12-31-27(17-24)29-19-26(9-3-6-16-39-23-36)20-30(33-29)28-18-25(11-13-32-28)8-2-5-15-38-22-35;1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;2*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;4*2-1-3;;;;/h1-26H;2-27H,1H3;7-20H,4-6H2,1-3H3;1-23H;7,9-14H,2-6H2,1H3;2*7,9-13H,2-6H2,1H3;7-14H,2-6H2,1H3;;;;;;;;/q;;;;8*-1;4*+2/b40-21+,41-22+,42-23+;41-20+,42-21+,43-22+;24-11+,25-12+,26-13+;7-1+,8-2+,9-3+,14-4+,15-5+,16-6+;;;;8-7+;;;;;;;;
InChIKeyGIFUZSJOPMEVBF-WVEQJWQESA-N
MW5159.04 g/mol
LogP66.32
Rot. Bonds85

About 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate

2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate (PubChem CID 161372546) has the molecular formula C242H186F36N24O24Ru4S8 and a molecular weight of 5159.04 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
PubChem CID161372546
Molecular FormulaC242H186F36N24O24Ru4S8
Molecular Weight5159.04 g/mol
Exact Mass5158.74
IUPAC Name2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
SMILESCC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccc(C(F)(F)F)cc3)cc(-c3cc(/C=C(/OC=O)c4ccc(C(F)(F)F)cc4)ccn3)n2)c1)c1ccc(C(F)(F)F)cc1.O=CO/C=C/C=C/c1ccnc(-c2cc(/C=C/C=C/OC=O)cc(-c3cc(/C=C/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C45H26F9N3O6.C45H29F6N3O6.C30H29N3O6.C30H23N3O6.C23H20F6NS.2C22H19F6N2S.C21H21F3N3S.4CNS.4Ru/c46-43(47,48)33-7-1-30(2-8-33)40(61-24-58)21-27-13-15-55-36(17-27)38-19-29(23-42(63-26-60)32-5-11-35(12-6-32)45(52,53)54)20-39(57-38)37-18-28(14-16-56-37)22-41(62-25-59)31-3-9-34(10-4-31)44(49,50)51;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;34-21-37-14-4-1-7-24-10-12-31-27(17-24)29-19-26(9-3-6-16-39-23-36)20-30(33-29)28-18-25(11-13-32-28)8-2-5-15-38-22-35;1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;2*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;4*2-1-3;;;;/h1-26H;2-27H,1H3;7-20H,4-6H2,1-3H3;1-23H;7,9-14H,2-6H2,1H3;2*7,9-13H,2-6H2,1H3;7-14H,2-6H2,1H3;;;;;;;;/q;;;;8*-1;4*+2/b40-21+,41-22+,42-23+;41-20+,42-21+,43-22+;24-11+,25-12+,26-13+;7-1+,8-2+,9-3+,14-4+,15-5+,16-6+;;;;8-7+;;;;;;;;
InChIKeyGIFUZSJOPMEVBF-WVEQJWQESA-N
XLogP66.32
TPSA663.81 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds85
Heavy Atoms338
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005159.04
LogP ≤ 566.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445641
[(E)-1-[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445579
bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);pentakis(ruthenium(2+));pentaisothiocyanate
CID 160826579
2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445744
[(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445760
[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445612
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+);isothiocyanate
CID 153445630
2-(3H-1-benzothiophen-3-id-2-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445668
2,6-bis[4-[(E)-2-tert-butyl-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]-4-[(E)-2-ethyl-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445663
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-methoxy-2,6-bis(4-methoxy-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 153445741
[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687390
[(1E,3E)-4-[2-[6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687443

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate (CID 161372546) is 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate is CC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccc(C(F)(F)F)cc3)cc(-c3cc(/C=C(/OC=O)c4ccc(C(F)(F)F)cc4)ccn3)n2)c1)c1ccc(C(F)(F)F)cc1.O=CO/C=C/C=C/c1ccnc(-c2cc(/C=C/C=C/OC=O)cc(-c3cc(/C=C/C=C/OC=O)ccn3)n2)c1.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?
The InChIKey is GIFUZSJOPMEVBF-WVEQJWQESA-N. The full InChI is InChI=1S/C45H26F9N3O6.C45H29F6N3O6.C30H29N3O6.C30H23N3O6.C23H20F6NS.2C22H19F6N2S.C21H21F3N3S.4CNS.4Ru/c46-43(47,48)33-7-1-30(2-8-33)40(61-24-58)21-27-13-15-55-36(17-27)38-19-29(23-42(63-26-60)32-5-11-35(12-6-32)45(52,53)54)20-39(57-38)37-18-28(14-16-56-37)22-41(62-25-59)31-3-9-34(10-4-31)44(49,50)51;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;1-4-24(37-18-34)11-21-7-9-31-27(14-21)29-16-23(13-26(6-3)39-20-36)17-30(33-29)28-15-22(8-10-32-28)12-25(5-2)38-19-35;34-21-37-14-4-1-7-24-10-12-31-27(17-24)29-19-26(9-3-6-16-39-23-36)20-30(33-29)28-18-25(11-13-32-28)8-2-5-15-38-22-35;1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;2*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;4*2-1-3;;;;/h1-26H;2-27H,1H3;7-20H,4-6H2,1-3H3;1-23H;7,9-14H,2-6H2,1H3;2*7,9-13H,2-6H2,1H3;7-14H,2-6H2,1H3;;;;;;;;/q;;;;8*-1;4*+2/b40-21+,41-22+,42-23+;41-20+,42-21+,43-22+;24-11+,25-12+,26-13+;7-1+,8-2+,9-3+,14-4+,15-5+,16-6+;;;;8-7+;;;;;;;;.
What are the key properties of 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate?
2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate has a molecular weight of 5159.04 g/mol, XLogP of 66.32, 85 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 161372546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).