[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate

C354H283F45N42O39Ru6S12 — CID 159666987

IUPAC[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate
SMILESCC(=O)c1cccc(/C(=C\c2ccnc(-c3cc(/C=C(/OC=O)c4cccc(C(C)=O)c4)cc(-c4cc(/C=C(/OC=O)c5cccc(C(C)=O)c5)ccn4)n3)c2)OC=O)c1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CCC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(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]
InChIInChI=1S/C48H35N3O9.C45H29F6N3O6.C42H29N3O6.C33H26F9N3O6.C28H21F6N3O6.C26H17F6N3O6.6C21H21F3N3S.6CNS.6Ru/c1-30(55)36-7-4-10-39(24-36)46(58-27-52)21-33-13-15-49-42(17-33)44-19-35(23-48(60-29-54)41-12-6-9-38(26-41)32(3)57)20-45(51-44)43-18-34(14-16-50-43)22-47(59-28-53)40-11-5-8-37(25-40)31(2)56;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;34-31(35,36)6-1-24(49-18-46)11-21-4-9-43-27(14-21)29-16-23(13-26(51-20-48)3-8-33(40,41)42)17-30(45-29)28-15-22(5-10-44-28)12-25(50-19-47)2-7-32(37,38)39;29-27(30,31)5-1-20(41-15-38)9-18-3-7-35-23(11-18)25-13-22(43-17-40)14-26(37-25)24-12-19(4-8-36-24)10-21(42-16-39)2-6-28(32,33)34;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;6*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;6*2-1-3;;;;;;/h4-29H,1-3H3;2-27H,1H3;1-29H;4-5,9-20H,1-3,6-8H2;3-4,7-17H,1-2,5-6H2;1-10,13-15H,11-12H2;6*7-14H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b46-21+,47-22+,48-23+;41-20+,42-21+,43-22+;40-24+,41-25+,42-26+;24-11+,25-12+,26-13+;20-9+,21-10+;19-5+,20-6+;6*8-7+;;;;;;;;;;;;
InChIKeyMTNMBGGXJVFMOL-HYKOREBHSA-N
MW7595.55 g/mol
LogP91.29
Rot. Bonds136

About [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate

[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate (PubChem CID 159666987) has the molecular formula C354H283F45N42O39Ru6S12 and a molecular weight of 7595.55 g/mol. Its IUPAC name is [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate.

Molecular Properties

Compound Name[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate
PubChem CID159666987
Molecular FormulaC354H283F45N42O39Ru6S12
Molecular Weight7595.55 g/mol
Exact Mass7595.16
IUPAC Name[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate
SMILESCC(=O)c1cccc(/C(=C\c2ccnc(-c3cc(/C=C(/OC=O)c4cccc(C(C)=O)c4)cc(-c4cc(/C=C(/OC=O)c5cccc(C(C)=O)c5)ccn4)n3)c2)OC=O)c1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CCC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(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]
InChIInChI=1S/C48H35N3O9.C45H29F6N3O6.C42H29N3O6.C33H26F9N3O6.C28H21F6N3O6.C26H17F6N3O6.6C21H21F3N3S.6CNS.6Ru/c1-30(55)36-7-4-10-39(24-36)46(58-27-52)21-33-13-15-49-42(17-33)44-19-35(23-48(60-29-54)41-12-6-9-38(26-41)32(3)57)20-45(51-44)43-18-34(14-16-50-43)22-47(59-28-53)40-11-5-8-37(25-40)31(2)56;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;34-31(35,36)6-1-24(49-18-46)11-21-4-9-43-27(14-21)29-16-23(13-26(51-20-48)3-8-33(40,41)42)17-30(45-29)28-15-22(5-10-44-28)12-25(50-19-47)2-7-32(37,38)39;29-27(30,31)5-1-20(41-15-38)9-18-3-7-35-23(11-18)25-13-22(43-17-40)14-26(37-25)24-12-19(4-8-36-24)10-21(42-16-39)2-6-28(32,33)34;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;6*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;6*2-1-3;;;;;;/h4-29H,1-3H3;2-27H,1H3;1-29H;4-5,9-20H,1-3,6-8H2;3-4,7-17H,1-2,5-6H2;1-10,13-15H,11-12H2;6*7-14H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b46-21+,47-22+,48-23+;41-20+,42-21+,43-22+;40-24+,41-25+,42-26+;24-11+,25-12+,26-13+;20-9+,21-10+;19-5+,20-6+;6*8-7+;;;;;;;;;;;;
InChIKeyMTNMBGGXJVFMOL-HYKOREBHSA-N
XLogP91.29
TPSA1129.71 Ų
H-Bond Donors
H-Bond Acceptors81
Rotatable Bonds136
Heavy Atoms498
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007595.55
LogP ≤ 591.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1081

Analyze [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate with MolForge

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What is the IUPAC name of [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate?
The IUPAC name of [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate (CID 159666987) is [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate.
What is the SMILES notation for [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate?
The canonical SMILES for [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate is CC(=O)c1cccc(/C(=C\c2ccnc(-c3cc(/C=C(/OC=O)c4cccc(C(C)=O)c4)cc(-c4cc(/C=C(/OC=O)c5cccc(C(C)=O)c5)ccn4)n3)c2)OC=O)c1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.Cc1cccc(/C(=C\c2cc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)nc(-c3cc(/C=C(/OC=O)c4cccc(C(F)(F)F)c4)ccn3)c2)OC=O)c1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CCC(F)(F)F)OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CC(F)(F)F)OC=O)ccn3)n2)c1)CC(F)(F)F.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(\CCC(F)(F)F)OC=O)ccn3)n2)c1)CCC(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].
What is the InChIKey of [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate?
The InChIKey is MTNMBGGXJVFMOL-HYKOREBHSA-N. The full InChI is InChI=1S/C48H35N3O9.C45H29F6N3O6.C42H29N3O6.C33H26F9N3O6.C28H21F6N3O6.C26H17F6N3O6.6C21H21F3N3S.6CNS.6Ru/c1-30(55)36-7-4-10-39(24-36)46(58-27-52)21-33-13-15-49-42(17-33)44-19-35(23-48(60-29-54)41-12-6-9-38(26-41)32(3)57)20-45(51-44)43-18-34(14-16-50-43)22-47(59-28-53)40-11-5-8-37(25-40)31(2)56;1-28-5-2-6-32(15-28)43(60-27-57)22-31-18-39(37-16-29(11-13-52-37)20-41(58-25-55)33-7-3-9-35(23-33)44(46,47)48)54-40(19-31)38-17-30(12-14-53-38)21-42(59-26-56)34-8-4-10-36(24-34)45(49,50)51;46-27-49-40(33-10-4-1-5-11-33)24-30-16-18-43-36(20-30)38-22-32(26-42(51-29-48)35-14-8-3-9-15-35)23-39(45-38)37-21-31(17-19-44-37)25-41(50-28-47)34-12-6-2-7-13-34;34-31(35,36)6-1-24(49-18-46)11-21-4-9-43-27(14-21)29-16-23(13-26(51-20-48)3-8-33(40,41)42)17-30(45-29)28-15-22(5-10-44-28)12-25(50-19-47)2-7-32(37,38)39;29-27(30,31)5-1-20(41-15-38)9-18-3-7-35-23(11-18)25-13-22(43-17-40)14-26(37-25)24-12-19(4-8-36-24)10-21(42-16-39)2-6-28(32,33)34;27-25(28,29)11-19(40-14-37)5-16-1-3-33-21(7-16)23-9-18(39-13-36)10-24(35-23)22-8-17(2-4-34-22)6-20(41-15-38)12-26(30,31)32;6*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;6*2-1-3;;;;;;/h4-29H,1-3H3;2-27H,1H3;1-29H;4-5,9-20H,1-3,6-8H2;3-4,7-17H,1-2,5-6H2;1-10,13-15H,11-12H2;6*7-14H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b46-21+,47-22+,48-23+;41-20+,42-21+,43-22+;40-24+,41-25+,42-26+;24-11+,25-12+,26-13+;20-9+,21-10+;19-5+,20-6+;6*8-7+;;;;;;;;;;;;.
What are the key properties of [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate?
[(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate has a molecular weight of 7595.55 g/mol, XLogP of 91.29, 136 rotatable bonds, 0 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3-acetylphenyl)-2-[2-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-6-[4-[(E)-2-(3-acetylphenyl)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;hexakis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));[(E)-5,5,5-trifluoro-1-[2-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-6-[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]pent-1-en-2-yl] formate;hexaisothiocyanate is sourced from PubChem (CID 159666987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).