hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate

C305H233F18N63O25OsRu5S9 — CID 158126533

IUPAChexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1cc(-c2cc(C)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.N#C/C=C\c1cc(-c2cc(/C=C\C#N)c3ccccc3n2)nc(-c2cc(/C=C(\C#N)C(=O)O)c3ccccc3n2)c1.N#C/C=C\c1cc(-c2ccccn2)nc(-c2ccccn2)c1.N#C/C=C\c1ccnc(-c2cc(/C=C\C#N)cc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[C-]#[N+]/C(=C/c1ccnc(-c2cc(/C=C(/[N+]#[C-])C(=O)O)cc(-c3nc4ccccc4n3CCCCCC)n2)c1)C(=O)O.[C-]#[N+]/C(=C\c1cccc(-c2ccnc(-c3cc(-c4cccc(/C=C(\[N+]#[C-])C(=O)O)c4)cc(-c4ncccn4)n3)c2)c1)C(=O)O.[C-]#[N+]/C=C/c1ccc(-c2ccnc(-c3cc(-c4ccc(/C=C(/[N+]#[C-])C(=O)O)s4)cc(-c4ccccn4)n3)c2)s1.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C34H20N6O4.C33H18N6O2.C31H26N6O4.C30H17N5O2S2.C26H26F3N5O.3C22H21F3N6S.C21H13N5.2C19H19F3N3S.C18H12N4.2CNS.6CO2.Os.5Ru/c1-35-30(33(41)42)16-21-6-3-8-23(14-21)25-10-13-37-27(18-25)28-19-26(20-29(40-28)32-38-11-5-12-39-32)24-9-4-7-22(15-24)17-31(36-2)34(43)44;34-13-5-7-21-15-29(31-18-22(8-6-14-35)25-9-1-3-11-27(25)37-31)39-30(16-21)32-19-23(17-24(20-36)33(40)41)26-10-2-4-12-28(26)38-32;1-4-5-6-9-14-37-28-11-8-7-10-22(28)36-29(37)25-18-21(19-27(33-3)31(40)41)17-24(35-25)23-15-20(12-13-34-23)16-26(32-2)30(38)39;1-31-13-11-21-6-8-28(38-21)19-10-14-34-24(15-19)26-17-20(16-25(35-26)23-5-3-4-12-33-23)29-9-7-22(39-29)18-27(32-2)30(36)37;1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-19(21-12-17(3)31-32-21)30-20(14-18)22-15-24(34-33-22)26(27,28)29;3*1-3-4-5-6-7-14-8-9-32-19(14)15-11-16(17-10-13(2)28-29-17)26-18(12-15)20-27-21(31-30-20)22(23,24)25;22-9-3-5-16-8-12-25-19(13-16)21-15-17(6-4-10-23)14-20(26-21)18-7-1-2-11-24-18;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;19-9-5-6-14-12-17(15-7-1-3-10-20-15)22-18(13-14)16-8-2-4-11-21-16;8*2-1-3;;;;;;/h3-20H,(H,41,42)(H,43,44);1-12,15-19H,(H,40,41);7-8,10-13,15-19H,4-6,9,14H2,1H3,(H,38,39)(H,40,41);3-18H,(H,36,37);8-10,12-15H,4-7,11H2,1-3H3;3*8-12H,3-7H2,1-2H3;1-8,11-15H;2*7-12H,2-6H2,1H3;1-8,10-13H;;;;;;;;;;;;;;/q;;;;4*-2;;2*-1;;2*-1;;;;;;;6*+2/b30-16-,31-17-;7-5-,8-6-,24-17+;26-16+,27-19+;13-11+,27-18+;;;;;5-3-,6-4-;;;6-5-;;;;;;;;;;;;;;
InChIKeyFSFZPVXWCCIBPZ-QUSGUWHCSA-N
MW6506.78 g/mol
LogP68.76
Rot. Bonds86

About hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate

hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate (PubChem CID 158126533) has the molecular formula C305H233F18N63O25OsRu5S9 and a molecular weight of 6506.78 g/mol. Its IUPAC name is hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate.

Molecular Properties

Compound Namehexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate
PubChem CID158126533
Molecular FormulaC305H233F18N63O25OsRu5S9
Molecular Weight6506.78 g/mol
Exact Mass6508.09
IUPAC Namehexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1cc(-c2cc(C)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.N#C/C=C\c1cc(-c2cc(/C=C\C#N)c3ccccc3n2)nc(-c2cc(/C=C(\C#N)C(=O)O)c3ccccc3n2)c1.N#C/C=C\c1cc(-c2ccccn2)nc(-c2ccccn2)c1.N#C/C=C\c1ccnc(-c2cc(/C=C\C#N)cc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[C-]#[N+]/C(=C/c1ccnc(-c2cc(/C=C(/[N+]#[C-])C(=O)O)cc(-c3nc4ccccc4n3CCCCCC)n2)c1)C(=O)O.[C-]#[N+]/C(=C\c1cccc(-c2ccnc(-c3cc(-c4cccc(/C=C(\[N+]#[C-])C(=O)O)c4)cc(-c4ncccn4)n3)c2)c1)C(=O)O.[C-]#[N+]/C=C/c1ccc(-c2ccnc(-c3cc(-c4ccc(/C=C(/[N+]#[C-])C(=O)O)s4)cc(-c4ccccn4)n3)c2)s1.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C34H20N6O4.C33H18N6O2.C31H26N6O4.C30H17N5O2S2.C26H26F3N5O.3C22H21F3N6S.C21H13N5.2C19H19F3N3S.C18H12N4.2CNS.6CO2.Os.5Ru/c1-35-30(33(41)42)16-21-6-3-8-23(14-21)25-10-13-37-27(18-25)28-19-26(20-29(40-28)32-38-11-5-12-39-32)24-9-4-7-22(15-24)17-31(36-2)34(43)44;34-13-5-7-21-15-29(31-18-22(8-6-14-35)25-9-1-3-11-27(25)37-31)39-30(16-21)32-19-23(17-24(20-36)33(40)41)26-10-2-4-12-28(26)38-32;1-4-5-6-9-14-37-28-11-8-7-10-22(28)36-29(37)25-18-21(19-27(33-3)31(40)41)17-24(35-25)23-15-20(12-13-34-23)16-26(32-2)30(38)39;1-31-13-11-21-6-8-28(38-21)19-10-14-34-24(15-19)26-17-20(16-25(35-26)23-5-3-4-12-33-23)29-9-7-22(39-29)18-27(32-2)30(36)37;1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-19(21-12-17(3)31-32-21)30-20(14-18)22-15-24(34-33-22)26(27,28)29;3*1-3-4-5-6-7-14-8-9-32-19(14)15-11-16(17-10-13(2)28-29-17)26-18(12-15)20-27-21(31-30-20)22(23,24)25;22-9-3-5-16-8-12-25-19(13-16)21-15-17(6-4-10-23)14-20(26-21)18-7-1-2-11-24-18;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;19-9-5-6-14-12-17(15-7-1-3-10-20-15)22-18(13-14)16-8-2-4-11-21-16;8*2-1-3;;;;;;/h3-20H,(H,41,42)(H,43,44);1-12,15-19H,(H,40,41);7-8,10-13,15-19H,4-6,9,14H2,1H3,(H,38,39)(H,40,41);3-18H,(H,36,37);8-10,12-15H,4-7,11H2,1-3H3;3*8-12H,3-7H2,1-2H3;1-8,11-15H;2*7-12H,2-6H2,1H3;1-8,10-13H;;;;;;;;;;;;;;/q;;;;4*-2;;2*-1;;2*-1;;;;;;;6*+2/b30-16-,31-17-;7-5-,8-6-,24-17+;26-16+,27-19+;13-11+,27-18+;;;;;5-3-,6-4-;;;6-5-;;;;;;;;;;;;;;
InChIKeyFSFZPVXWCCIBPZ-QUSGUWHCSA-N
XLogP68.76
TPSA1287.12 Ų
H-Bond Donors6
H-Bond Acceptors73
Rotatable Bonds86
Heavy Atoms426
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006506.78
LogP ≤ 568.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1073

Analyze hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate with MolForge

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What is the IUPAC name of hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate?
The IUPAC name of hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate (CID 158126533) is hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate.
What is the SMILES notation for hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate?
The canonical SMILES for hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate is CCCCCCOc1cccc(C)c1-c1cc(-c2cc(C)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1cc(-c2cc(C)n[n-]2)nc(-c2nc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.N#C/C=C\c1cc(-c2cc(/C=C\C#N)c3ccccc3n2)nc(-c2cc(/C=C(\C#N)C(=O)O)c3ccccc3n2)c1.N#C/C=C\c1cc(-c2ccccn2)nc(-c2ccccn2)c1.N#C/C=C\c1ccnc(-c2cc(/C=C\C#N)cc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[C-]#[N+]/C(=C/c1ccnc(-c2cc(/C=C(/[N+]#[C-])C(=O)O)cc(-c3nc4ccccc4n3CCCCCC)n2)c1)C(=O)O.[C-]#[N+]/C(=C\c1cccc(-c2ccnc(-c3cc(-c4cccc(/C=C(\[N+]#[C-])C(=O)O)c4)cc(-c4ncccn4)n3)c2)c1)C(=O)O.[C-]#[N+]/C=C/c1ccc(-c2ccnc(-c3cc(-c4ccc(/C=C(/[N+]#[C-])C(=O)O)s4)cc(-c4ccccn4)n3)c2)s1.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate?
The InChIKey is FSFZPVXWCCIBPZ-QUSGUWHCSA-N. The full InChI is InChI=1S/C34H20N6O4.C33H18N6O2.C31H26N6O4.C30H17N5O2S2.C26H26F3N5O.3C22H21F3N6S.C21H13N5.2C19H19F3N3S.C18H12N4.2CNS.6CO2.Os.5Ru/c1-35-30(33(41)42)16-21-6-3-8-23(14-21)25-10-13-37-27(18-25)28-19-26(20-29(40-28)32-38-11-5-12-39-32)24-9-4-7-22(15-24)17-31(36-2)34(43)44;34-13-5-7-21-15-29(31-18-22(8-6-14-35)25-9-1-3-11-27(25)37-31)39-30(16-21)32-19-23(17-24(20-36)33(40)41)26-10-2-4-12-28(26)38-32;1-4-5-6-9-14-37-28-11-8-7-10-22(28)36-29(37)25-18-21(19-27(33-3)31(40)41)17-24(35-25)23-15-20(12-13-34-23)16-26(32-2)30(38)39;1-31-13-11-21-6-8-28(38-21)19-10-14-34-24(15-19)26-17-20(16-25(35-26)23-5-3-4-12-33-23)29-9-7-22(39-29)18-27(32-2)30(36)37;1-4-5-6-7-11-35-23-10-8-9-16(2)25(23)18-13-19(21-12-17(3)31-32-21)30-20(14-18)22-15-24(34-33-22)26(27,28)29;3*1-3-4-5-6-7-14-8-9-32-19(14)15-11-16(17-10-13(2)28-29-17)26-18(12-15)20-27-21(31-30-20)22(23,24)25;22-9-3-5-16-8-12-25-19(13-16)21-15-17(6-4-10-23)14-20(26-21)18-7-1-2-11-24-18;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;19-9-5-6-14-12-17(15-7-1-3-10-20-15)22-18(13-14)16-8-2-4-11-21-16;8*2-1-3;;;;;;/h3-20H,(H,41,42)(H,43,44);1-12,15-19H,(H,40,41);7-8,10-13,15-19H,4-6,9,14H2,1H3,(H,38,39)(H,40,41);3-18H,(H,36,37);8-10,12-15H,4-7,11H2,1-3H3;3*8-12H,3-7H2,1-2H3;1-8,11-15H;2*7-12H,2-6H2,1H3;1-8,10-13H;;;;;;;;;;;;;;/q;;;;4*-2;;2*-1;;2*-1;;;;;;;6*+2/b30-16-,31-17-;7-5-,8-6-,24-17+;26-16+,27-19+;13-11+,27-18+;;;;;5-3-,6-4-;;;6-5-;;;;;;;;;;;;;;.
What are the key properties of hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate?
hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate has a molecular weight of 6506.78 g/mol, XLogP of 68.76, 86 rotatable bonds, 6 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);(E)-3-[2-[4-[(E)-2-carboxy-2-isocyanoethenyl]-6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-2-isocyanoprop-2-enoic acid;(Z)-3-[3-[2-[4-[3-[(Z)-2-carboxy-2-isocyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]-2-isocyanoprop-2-enoic acid;(E)-2-cyano-3-[2-[4-[(Z)-2-cyanoethenyl]-6-[4-[(Z)-2-cyanoethenyl]quinolin-2-yl]-2-pyridinyl]quinolin-4-yl]prop-2-enoic acid;(Z)-3-[2-[4-[(Z)-2-cyanoethenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]prop-2-enenitrile;(Z)-3-(2,6-dipyridin-2-yl-4-pyridinyl)prop-2-enenitrile;4-(2-hexoxy-6-methylphenyl)-2-(5-methylpyrazol-2-id-3-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(4-(3-hexylthiophen-2-yl)-2-(5-methylpyrazol-2-id-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);(E)-2-isocyano-3-[5-[2-[4-[5-[(E)-2-isocyanoethenyl]thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]prop-2-enoic acid;osmium(2+);pentakis(ruthenium(2+));diisothiocyanate is sourced from PubChem (CID 158126533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).