[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide

C307H281F20N35O37Ru6S5Si — CID 157409154

IUPAC[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
SMILESCC(C)(C)c1ccc([S-])c(-c2cc([Si](C)(C)C)cc(-c3[c-]cc(F)c(F)c3F)n2)c1.CC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.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.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(F)cc2F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)nc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(OCC(CC)CCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C30H29N3O6.C29H32F3N3S.C28H31F3N4S.C27H34F3N3O.C26H26F3N3S.C25H22F5N3S.C24H25F3NSSi.4C24H17N3O6.C22H15N3O6.6Ru/c1-4-24(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;1-5-6-7-8-9-20-14-15-36-27(20)21-16-24(19-10-12-22(13-11-19)28(2,3)4)35-25(17-21)23(33)18-26(34)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-17-22(21(32)16-24(33)28(29,30)31)34-26(35-23)19-10-12-20(13-11-19)27(2,3)4;1-6-8-9-18(7-2)17-34-21-14-23(19-10-12-20(13-11-19)26(3,4)5)33-24(15-21)22(31)16-25(32)27(28,29)30;1-3-4-5-6-7-19-12-13-33-25(19)20-14-22(18-10-8-17(2)9-11-18)32-23(15-20)21(30)16-24(31)26(27,28)29;1-2-3-4-5-6-15-9-10-34-24(15)16-11-21(18-8-7-17(26)13-19(18)27)33-22(12-16)20(31)14-23(32)25(28,29)30;1-24(2,3)14-7-10-21(29)17(11-14)20-13-15(30(4,5)6)12-19(28-20)16-8-9-18(25)23(27)22(16)26;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;26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h7-20H,4-6H2,1-3H3;10,12-18,33-34H,5-9H2,1-4H3;10,12-17,32-33H,5-9H2,1-4H3;10,12-16,18,31-32H,6-9,17H2,1-5H3;8-10,12-16,30-31H,3-7H2,1-2H3;7,9-14,31-32H,2-6H2,1H3;7,9-13,29H,1-6H3;4*1-17H;1-15H;;;;;;/q;5*-2;-1;;;;;;6*+2/p-1/b24-11+,25-12+,26-13+;23-18-,34-26-;21-16-,33-24-;22-16-,32-25-;21-16-,31-24-;20-14-,32-23-;;4*8-3+,9-4+,10-5+;7-3+,8-4+;;;;;;
InChIKeyIIWJZDQWPAOPNX-MOZKKGOESA-M
MW6227.63 g/mol
LogP74.41
Rot. Bonds117

About [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide

[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide (PubChem CID 157409154) has the molecular formula C307H281F20N35O37Ru6S5Si and a molecular weight of 6227.63 g/mol. Its IUPAC name is [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide.

Molecular Properties

Compound Name[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
PubChem CID157409154
Molecular FormulaC307H281F20N35O37Ru6S5Si
Molecular Weight6227.63 g/mol
Exact Mass6228.35
IUPAC Name[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
SMILESCC(C)(C)c1ccc([S-])c(-c2cc([Si](C)(C)C)cc(-c3[c-]cc(F)c(F)c3F)n2)c1.CC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.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.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(F)cc2F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)nc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(OCC(CC)CCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C30H29N3O6.C29H32F3N3S.C28H31F3N4S.C27H34F3N3O.C26H26F3N3S.C25H22F5N3S.C24H25F3NSSi.4C24H17N3O6.C22H15N3O6.6Ru/c1-4-24(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;1-5-6-7-8-9-20-14-15-36-27(20)21-16-24(19-10-12-22(13-11-19)28(2,3)4)35-25(17-21)23(33)18-26(34)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-17-22(21(32)16-24(33)28(29,30)31)34-26(35-23)19-10-12-20(13-11-19)27(2,3)4;1-6-8-9-18(7-2)17-34-21-14-23(19-10-12-20(13-11-19)26(3,4)5)33-24(15-21)22(31)16-25(32)27(28,29)30;1-3-4-5-6-7-19-12-13-33-25(19)20-14-22(18-10-8-17(2)9-11-18)32-23(15-20)21(30)16-24(31)26(27,28)29;1-2-3-4-5-6-15-9-10-34-24(15)16-11-21(18-8-7-17(26)13-19(18)27)33-22(12-16)20(31)14-23(32)25(28,29)30;1-24(2,3)14-7-10-21(29)17(11-14)20-13-15(30(4,5)6)12-19(28-20)16-8-9-18(25)23(27)22(16)26;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;26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h7-20H,4-6H2,1-3H3;10,12-18,33-34H,5-9H2,1-4H3;10,12-17,32-33H,5-9H2,1-4H3;10,12-16,18,31-32H,6-9,17H2,1-5H3;8-10,12-16,30-31H,3-7H2,1-2H3;7,9-14,31-32H,2-6H2,1H3;7,9-13,29H,1-6H3;4*1-17H;1-15H;;;;;;/q;5*-2;-1;;;;;;6*+2/p-1/b24-11+,25-12+,26-13+;23-18-,34-26-;21-16-,33-24-;22-16-,32-25-;21-16-,31-24-;20-14-,32-23-;;4*8-3+,9-4+,10-5+;7-3+,8-4+;;;;;;
InChIKeyIIWJZDQWPAOPNX-MOZKKGOESA-M
XLogP74.41
TPSA1043.13 Ų
H-Bond Donors5
H-Bond Acceptors72
Rotatable Bonds117
Heavy Atoms411
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006227.63
LogP ≤ 574.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1072

Analyze [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The IUPAC name of [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide (CID 157409154) is [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide.
What is the SMILES notation for [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The canonical SMILES for [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide is CC(C)(C)c1ccc([S-])c(-c2cc([Si](C)(C)C)cc(-c3[c-]cc(F)c(F)c3F)n2)c1.CC/C(=C\c1ccnc(-c2cc(/C=C(\CC)OC=O)cc(-c3cc(/C=C(\CC)OC=O)ccn3)n2)c1)OC=O.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.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2[c-]cc(F)cc2F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)nc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(OCC(CC)CCCC)cc(-c2[c-]cc(C(C)(C)C)cc2)n1)C(F)(F)F.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The InChIKey is IIWJZDQWPAOPNX-MOZKKGOESA-M. The full InChI is InChI=1S/C30H29N3O6.C29H32F3N3S.C28H31F3N4S.C27H34F3N3O.C26H26F3N3S.C25H22F5N3S.C24H25F3NSSi.4C24H17N3O6.C22H15N3O6.6Ru/c1-4-24(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;1-5-6-7-8-9-20-14-15-36-27(20)21-16-24(19-10-12-22(13-11-19)28(2,3)4)35-25(17-21)23(33)18-26(34)29(30,31)32;1-5-6-7-8-9-18-14-15-36-25(18)23-17-22(21(32)16-24(33)28(29,30)31)34-26(35-23)19-10-12-20(13-11-19)27(2,3)4;1-6-8-9-18(7-2)17-34-21-14-23(19-10-12-20(13-11-19)26(3,4)5)33-24(15-21)22(31)16-25(32)27(28,29)30;1-3-4-5-6-7-19-12-13-33-25(19)20-14-22(18-10-8-17(2)9-11-18)32-23(15-20)21(30)16-24(31)26(27,28)29;1-2-3-4-5-6-15-9-10-34-24(15)16-11-21(18-8-7-17(26)13-19(18)27)33-22(12-16)20(31)14-23(32)25(28,29)30;1-24(2,3)14-7-10-21(29)17(11-14)20-13-15(30(4,5)6)12-19(28-20)16-8-9-18(25)23(27)22(16)26;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;26-13-29-7-3-16-1-5-23-19(9-16)21-11-18(31-15-28)12-22(25-21)20-10-17(2-6-24-20)4-8-30-14-27;;;;;;/h7-20H,4-6H2,1-3H3;10,12-18,33-34H,5-9H2,1-4H3;10,12-17,32-33H,5-9H2,1-4H3;10,12-16,18,31-32H,6-9,17H2,1-5H3;8-10,12-16,30-31H,3-7H2,1-2H3;7,9-14,31-32H,2-6H2,1H3;7,9-13,29H,1-6H3;4*1-17H;1-15H;;;;;;/q;5*-2;-1;;;;;;6*+2/p-1/b24-11+,25-12+,26-13+;23-18-,34-26-;21-16-,33-24-;22-16-,32-25-;21-16-,31-24-;20-14-,32-23-;;4*8-3+,9-4+,10-5+;7-3+,8-4+;;;;;;.
What are the key properties of [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide has a molecular weight of 6227.63 g/mol, XLogP of 74.41, 117 rotatable bonds, 5 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-ethylhexoxy)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[6-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[2-(4-tert-butylbenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;4-tert-butyl-2-[6-(2,3,4-trifluorobenzene-6-id-1-yl)-4-trimethylsilyl-2-pyridinyl]benzenethiolate;[(Z)-1-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(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;tetrakis([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;hexakis(ruthenium(2+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide is sourced from PubChem (CID 157409154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).