[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide

C374H304F39N49O56Ru8S7 — CID 158791904

IUPAC[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide
SMILESCCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2C(F)(F)F)nc(-c2cc(C(F)(F)F)ccc2O)c1.CCCCCCc1ccsc1-c1nc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.O=COc1ccc(-c2cc(-c3cc(OC=O)ccn3)nc(-c3cc(OC=O)ccn3)c2)cc1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(C)/N=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+]
InChIInChI=1S/C38H39F6N4O.C30H26F6NOS.C28H26F3N2OS.C27H25F3N3OS.2C26H24F6N3OS.C25H23F6N4OS.C24H25F3N5OS.C24H15N3O6.7C18H11N3O6.8Ru/c1-3-5-7-9-25-11-16-28(17-12-25)48(29-18-13-26(14-19-29)10-8-6-4-2)30-22-33(31-21-27(37(39,40)41)15-20-35(31)49)47-34(23-30)32(45)24-36(46)38(42,43)44;1-3-4-5-6-7-19-12-13-39-28(19)20-15-25(22-10-8-18(2)14-24(22)30(34,35)36)37-26(16-20)23-17-21(29(31,32)33)9-11-27(23)38;1-3-4-5-6-7-20-14-15-35-26(20)24-17-23(19-10-8-18(2)9-11-19)32-27(33-24)22-16-21(28(29,30)31)12-13-25(22)34;1-3-4-5-6-7-18-14-15-35-23(18)26-32-24(19-10-8-17(2)9-11-19)31-25(33-26)21-16-20(27(28,29)30)12-13-22(21)34;2*1-2-3-4-5-6-15-9-10-37-24(15)16-11-20(18-13-17(25(27,28)29)7-8-22(18)36)35-21(12-16)19(33)14-23(34)26(30,31)32;1-2-3-4-5-6-14-9-10-37-22(14)19-13-18(16-11-15(24(26,27)28)7-8-20(16)36)34-23(35-19)17(32)12-21(33)25(29,30)31;1-3-4-5-6-7-15-10-11-34-21(15)19-13-18(31-23(32-19)22(29)30-14(2)28)17-12-16(24(25,26)27)8-9-20(17)33;28-13-31-18-3-1-16(2-4-18)17-9-23(21-11-19(32-14-29)5-7-25-21)27-24(10-17)22-12-20(33-15-30)6-8-26-22;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;;;;;;;;/h11-24H,3-10H2,1-2H3,(H3-,45,46,47,49);8-9,11-17,38H,3-7H2,1-2H3;8-10,12-17,34H,3-7H2,1-2H3;8-10,12-16,34H,3-7H2,1-2H3;2*7-14H,2-6H2,1H3,(H3-,33,34,35,36);7-13H,2-6H2,1H3,(H3-,32,33,34,35,36);8-13H,3-7H2,1-2H3,(H3-,28,29,30,31,32,33);1-15H;7*1-11H;;;;;;;;/q8*-1;;;;;;;;;8*+1
InChIKeyQYBFCEPZDPHYSX-UHFFFAOYSA-N
MW8154.78 g/mol
LogP89.83
Rot. Bonds138

About [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide

[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide (PubChem CID 158791904) has the molecular formula C374H304F39N49O56Ru8S7 and a molecular weight of 8154.78 g/mol. Its IUPAC name is [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide.

Molecular Properties

Compound Name[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide
PubChem CID158791904
Molecular FormulaC374H304F39N49O56Ru8S7
Molecular Weight8154.78 g/mol
Exact Mass8156.22
IUPAC Name[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide
SMILESCCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2C(F)(F)F)nc(-c2cc(C(F)(F)F)ccc2O)c1.CCCCCCc1ccsc1-c1nc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.O=COc1ccc(-c2cc(-c3cc(OC=O)ccn3)nc(-c3cc(OC=O)ccn3)c2)cc1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(C)/N=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+]
InChIInChI=1S/C38H39F6N4O.C30H26F6NOS.C28H26F3N2OS.C27H25F3N3OS.2C26H24F6N3OS.C25H23F6N4OS.C24H25F3N5OS.C24H15N3O6.7C18H11N3O6.8Ru/c1-3-5-7-9-25-11-16-28(17-12-25)48(29-18-13-26(14-19-29)10-8-6-4-2)30-22-33(31-21-27(37(39,40)41)15-20-35(31)49)47-34(23-30)32(45)24-36(46)38(42,43)44;1-3-4-5-6-7-19-12-13-39-28(19)20-15-25(22-10-8-18(2)14-24(22)30(34,35)36)37-26(16-20)23-17-21(29(31,32)33)9-11-27(23)38;1-3-4-5-6-7-20-14-15-35-26(20)24-17-23(19-10-8-18(2)9-11-19)32-27(33-24)22-16-21(28(29,30)31)12-13-25(22)34;1-3-4-5-6-7-18-14-15-35-23(18)26-32-24(19-10-8-17(2)9-11-19)31-25(33-26)21-16-20(27(28,29)30)12-13-22(21)34;2*1-2-3-4-5-6-15-9-10-37-24(15)16-11-20(18-13-17(25(27,28)29)7-8-22(18)36)35-21(12-16)19(33)14-23(34)26(30,31)32;1-2-3-4-5-6-14-9-10-37-22(14)19-13-18(16-11-15(24(26,27)28)7-8-20(16)36)34-23(35-19)17(32)12-21(33)25(29,30)31;1-3-4-5-6-7-15-10-11-34-21(15)19-13-18(31-23(32-19)22(29)30-14(2)28)17-12-16(24(25,26)27)8-9-20(17)33;28-13-31-18-3-1-16(2-4-18)17-9-23(21-11-19(32-14-29)5-7-25-21)27-24(10-17)22-12-20(33-15-30)6-8-26-22;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;;;;;;;;/h11-24H,3-10H2,1-2H3,(H3-,45,46,47,49);8-9,11-17,38H,3-7H2,1-2H3;8-10,12-17,34H,3-7H2,1-2H3;8-10,12-16,34H,3-7H2,1-2H3;2*7-14H,2-6H2,1H3,(H3-,33,34,35,36);7-13H,2-6H2,1H3,(H3-,32,33,34,35,36);8-13H,3-7H2,1-2H3,(H3-,28,29,30,31,32,33);1-15H;7*1-11H;;;;;;;;/q8*-1;;;;;;;;;8*+1
InChIKeyQYBFCEPZDPHYSX-UHFFFAOYSA-N
XLogP89.83
TPSA1523.82 Ų
H-Bond Donors13
H-Bond Acceptors106
Rotatable Bonds138
Heavy Atoms533
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008154.78
LogP ≤ 589.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 10106

Analyze [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide with MolForge

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What is the IUPAC name of [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The IUPAC name of [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide (CID 158791904) is [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide.
What is the SMILES notation for [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The canonical SMILES for [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide is CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.CCCCCCc1ccsc1-c1cc(-c2[c-]cc(C)cc2C(F)(F)F)nc(-c2cc(C(F)(F)F)ccc2O)c1.CCCCCCc1ccsc1-c1nc(-c2[c-]cc(C)cc2)nc(-c2cc(C(F)(F)F)ccc2O)n1.O=COc1ccc(-c2cc(-c3cc(OC=O)ccn3)nc(-c3cc(OC=O)ccn3)c2)cc1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.[H]/N=C(C)/N=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1cc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cc(-c2cc(C(F)(F)F)ccc2O)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2cc(C(F)(F)F)ccc2O)cc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].[Ru+].
What is the InChIKey of [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
The InChIKey is QYBFCEPZDPHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39F6N4O.C30H26F6NOS.C28H26F3N2OS.C27H25F3N3OS.2C26H24F6N3OS.C25H23F6N4OS.C24H25F3N5OS.C24H15N3O6.7C18H11N3O6.8Ru/c1-3-5-7-9-25-11-16-28(17-12-25)48(29-18-13-26(14-19-29)10-8-6-4-2)30-22-33(31-21-27(37(39,40)41)15-20-35(31)49)47-34(23-30)32(45)24-36(46)38(42,43)44;1-3-4-5-6-7-19-12-13-39-28(19)20-15-25(22-10-8-18(2)14-24(22)30(34,35)36)37-26(16-20)23-17-21(29(31,32)33)9-11-27(23)38;1-3-4-5-6-7-20-14-15-35-26(20)24-17-23(19-10-8-18(2)9-11-19)32-27(33-24)22-16-21(28(29,30)31)12-13-25(22)34;1-3-4-5-6-7-18-14-15-35-23(18)26-32-24(19-10-8-17(2)9-11-19)31-25(33-26)21-16-20(27(28,29)30)12-13-22(21)34;2*1-2-3-4-5-6-15-9-10-37-24(15)16-11-20(18-13-17(25(27,28)29)7-8-22(18)36)35-21(12-16)19(33)14-23(34)26(30,31)32;1-2-3-4-5-6-14-9-10-37-22(14)19-13-18(16-11-15(24(26,27)28)7-8-20(16)36)34-23(35-19)17(32)12-21(33)25(29,30)31;1-3-4-5-6-7-15-10-11-34-21(15)19-13-18(31-23(32-19)22(29)30-14(2)28)17-12-16(24(25,26)27)8-9-20(17)33;28-13-31-18-3-1-16(2-4-18)17-9-23(21-11-19(32-14-29)5-7-25-21)27-24(10-17)22-12-20(33-15-30)6-8-26-22;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;;;;;;;;/h11-24H,3-10H2,1-2H3,(H3-,45,46,47,49);8-9,11-17,38H,3-7H2,1-2H3;8-10,12-17,34H,3-7H2,1-2H3;8-10,12-16,34H,3-7H2,1-2H3;2*7-14H,2-6H2,1H3,(H3-,33,34,35,36);7-13H,2-6H2,1H3,(H3-,32,33,34,35,36);8-13H,3-7H2,1-2H3,(H3-,28,29,30,31,32,33);1-15H;7*1-11H;;;;;;;;/q8*-1;;;;;;;;;8*+1.
What are the key properties of [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide?
[4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide has a molecular weight of 8154.78 g/mol, XLogP of 89.83, 138 rotatable bonds, 13 hydrogen bond donors, and 106 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-bis(4-formyloxy-2-pyridinyl)-4-pyridinyl]phenyl] formate;[N-ethanimidoyl-C-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbonimidoyl]azanide;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)pyrimidin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-(4-methylbenzene-6-id-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-4-(trifluoromethyl)phenol;octakis(ruthenium(1+));bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;[(Z)-4,4,4-trifluoro-1-[6-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]-3-iminobut-1-enyl]azanide is sourced from PubChem (CID 158791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).