[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate

C396H346F32N58O55Ru8S13 — CID 159470803

IUPAC[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate
SMILESCC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CC(=O)/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(C)cc3C(F)(F)F)n2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(F)cc3F)n2)s1.N#C/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1)OC=O.O=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1nccc(/C=C/c2ccc(CCCCCC)s2)n1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C35H45F6N5O2.C30H23N3O9.C28H21N3O8.C25H25F6N5S.C25H16N4O6.C24H14F3N3O6.C24H24F3N2S.4C24H17N3O6.C22H21F2N2S.2C21H23F3N3S.C20H22F3N4S.C19H21F3N3S.6CNS.8Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;1-18(35)27(38-16-33)13-20-3-6-29-23(9-20)25-11-22(5-8-37-15-32)12-26(31-25)24-10-21(4-7-30-24)14-28(19(2)36)39-17-34;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-20(18(32)13-22(34)24(26,27)28)36-21(12-15)19(33)14-23(35)25(29,30)31;26-14-21(35-17-32)9-19-2-6-28-23(11-19)25-13-20(4-8-34-16-31)12-24(29-25)22-10-18(1-5-27-22)3-7-33-15-30;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;1-3-4-5-6-7-19-11-12-20(30-19)10-9-18-14-15-28-23(29-18)21-13-8-17(2)16-22(21)24(25,26)27;4*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-2-3-4-5-6-18-10-11-19(27-18)9-8-17-13-14-25-22(26-17)20-12-7-16(23)15-21(20)24;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;1-2-3-4-5-6-15-9-10-16(28-15)8-7-14-11-12-26-19(27-14)17(24)13-18(25)20(21,22)23;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;;;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;3-17H,1-2H3;7-14,32-35H,2-6H2,1H3;1-13,15-17H;1-14H;8-12,14-16H,3-7H2,1-2H3;4*1-17H;7-11,13-15H,2-6H2,1H3;2*7-14,25-26H,2-6H2,1H3;7-13,24-25H,2-6H2,1H3;7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;/q-2;;;-2;;;-1;;;;;11*-1;8*+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;8-5+,27-13+,28-14+;8-7+,18-13-,19-14-,34-22-,35-23+;7-3+,8-4+,21-9+;22-9+,23-10+,24-11+;10-9+;4*8-3+,9-4+,10-5+;9-8+;2*8-7+,18-14-,26-20-;8-7+,17-13-,25-18-;15-12-,24-17-;;;;;;;;;;;;;;
InChIKeyUKFNPLWMCSOPMB-MBKTXROBSA-N
MW8630.84 g/mol
LogP97.91
Rot. Bonds176

About [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate (PubChem CID 159470803) has the molecular formula C396H346F32N58O55Ru8S13 and a molecular weight of 8630.84 g/mol. Its IUPAC name is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate.

Molecular Properties

Compound Name[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate
PubChem CID159470803
Molecular FormulaC396H346F32N58O55Ru8S13
Molecular Weight8630.84 g/mol
Exact Mass8631.43
IUPAC Name[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate
SMILESCC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CC(=O)/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(C)cc3C(F)(F)F)n2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(F)cc3F)n2)s1.N#C/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1)OC=O.O=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1nccc(/C=C/c2ccc(CCCCCC)s2)n1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C35H45F6N5O2.C30H23N3O9.C28H21N3O8.C25H25F6N5S.C25H16N4O6.C24H14F3N3O6.C24H24F3N2S.4C24H17N3O6.C22H21F2N2S.2C21H23F3N3S.C20H22F3N4S.C19H21F3N3S.6CNS.8Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;1-18(35)27(38-16-33)13-20-3-6-29-23(9-20)25-11-22(5-8-37-15-32)12-26(31-25)24-10-21(4-7-30-24)14-28(19(2)36)39-17-34;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-20(18(32)13-22(34)24(26,27)28)36-21(12-15)19(33)14-23(35)25(29,30)31;26-14-21(35-17-32)9-19-2-6-28-23(11-19)25-13-20(4-8-34-16-31)12-24(29-25)22-10-18(1-5-27-22)3-7-33-15-30;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;1-3-4-5-6-7-19-11-12-20(30-19)10-9-18-14-15-28-23(29-18)21-13-8-17(2)16-22(21)24(25,26)27;4*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-2-3-4-5-6-18-10-11-19(27-18)9-8-17-13-14-25-22(26-17)20-12-7-16(23)15-21(20)24;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;1-2-3-4-5-6-15-9-10-16(28-15)8-7-14-11-12-26-19(27-14)17(24)13-18(25)20(21,22)23;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;;;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;3-17H,1-2H3;7-14,32-35H,2-6H2,1H3;1-13,15-17H;1-14H;8-12,14-16H,3-7H2,1-2H3;4*1-17H;7-11,13-15H,2-6H2,1H3;2*7-14,25-26H,2-6H2,1H3;7-13,24-25H,2-6H2,1H3;7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;/q-2;;;-2;;;-1;;;;;11*-1;8*+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;8-5+,27-13+,28-14+;8-7+,18-13-,19-14-,34-22-,35-23+;7-3+,8-4+,21-9+;22-9+,23-10+,24-11+;10-9+;4*8-3+,9-4+,10-5+;9-8+;2*8-7+,18-14-,26-20-;8-7+,17-13-,25-18-;15-12-,24-17-;;;;;;;;;;;;;;
InChIKeyUKFNPLWMCSOPMB-MBKTXROBSA-N
XLogP97.91
TPSA1724.95 Ų
H-Bond Donors8
H-Bond Acceptors112
Rotatable Bonds176
Heavy Atoms562
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008630.84
LogP ≤ 597.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 10112

Analyze [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate?
The IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate (CID 159470803) is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate.
What is the SMILES notation for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate?
The canonical SMILES for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate is CC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CC(=O)/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(C)cc3C(F)(F)F)n2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3[c-]cc(F)cc3F)n2)s1.N#C/C(=C\c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1)OC=O.O=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1nccc(/C=C/c2ccc(CCCCCC)s2)n1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate?
The InChIKey is UKFNPLWMCSOPMB-MBKTXROBSA-N. The full InChI is InChI=1S/C35H45F6N5O2.C30H23N3O9.C28H21N3O8.C25H25F6N5S.C25H16N4O6.C24H14F3N3O6.C24H24F3N2S.4C24H17N3O6.C22H21F2N2S.2C21H23F3N3S.C20H22F3N4S.C19H21F3N3S.6CNS.8Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;1-18(35)27(38-16-33)13-20-3-6-29-23(9-20)25-11-22(5-8-37-15-32)12-26(31-25)24-10-21(4-7-30-24)14-28(19(2)36)39-17-34;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-20(18(32)13-22(34)24(26,27)28)36-21(12-15)19(33)14-23(35)25(29,30)31;26-14-21(35-17-32)9-19-2-6-28-23(11-19)25-13-20(4-8-34-16-31)12-24(29-25)22-10-18(1-5-27-22)3-7-33-15-30;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;1-3-4-5-6-7-19-11-12-20(30-19)10-9-18-14-15-28-23(29-18)21-13-8-17(2)16-22(21)24(25,26)27;4*28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-2-3-4-5-6-18-10-11-19(27-18)9-8-17-13-14-25-22(26-17)20-12-7-16(23)15-21(20)24;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;1-2-3-4-5-6-15-9-10-16(28-15)8-7-14-11-12-26-19(27-14)17(24)13-18(25)20(21,22)23;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;;;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;3-17H,1-2H3;7-14,32-35H,2-6H2,1H3;1-13,15-17H;1-14H;8-12,14-16H,3-7H2,1-2H3;4*1-17H;7-11,13-15H,2-6H2,1H3;2*7-14,25-26H,2-6H2,1H3;7-13,24-25H,2-6H2,1H3;7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;/q-2;;;-2;;;-1;;;;;11*-1;8*+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;8-5+,27-13+,28-14+;8-7+,18-13-,19-14-,34-22-,35-23+;7-3+,8-4+,21-9+;22-9+,23-10+,24-11+;10-9+;4*8-3+,9-4+,10-5+;9-8+;2*8-7+,18-14-,26-20-;8-7+,17-13-,25-18-;15-12-,24-17-;;;;;;;;;;;;;;.
What are the key properties of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate?
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate has a molecular weight of 8630.84 g/mol, XLogP of 97.91, 176 rotatable bonds, 8 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[6-[4-[(E)-2-cyano-2-formyloxyethenyl]-2-pyridinyl]-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidine;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;octakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;hexaisothiocyanate is sourced from PubChem (CID 159470803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).