bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate

C348H257F51N34O36Ru6S12 — CID 157118512

IUPACbis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate
SMILESCCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.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(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)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(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.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.[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/2C42H29N3O6.2C34H23N3O6.C30H20F9N3O6.C26H17F6N3O6.2C23H20F6NS.4C22H19F6N2S.6CNS.6Ru/c2*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;2*38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;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;2*1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;4*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;6*2-1-3;;;;;;/h2*1-29H;2*1-23H;1-11,15-17H,12-14H2;1-10,13-15H,11-12H2;2*7,9-14H,2-6H2,1H3;4*7,9-13H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b2*40-24+,41-25+,42-26+;2*33-17+,34-18+;21-5+,22-6+,23-7+;19-5+,20-6+;;;;;;;;;;;;;;;;;;
InChIKeyIJJULULDOMADDA-ONCQLYASSA-N
MW7451.21 g/mol
LogP94.02
Rot. Bonds120

About bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate

bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate (PubChem CID 157118512) has the molecular formula C348H257F51N34O36Ru6S12 and a molecular weight of 7451.21 g/mol. Its IUPAC name is bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate.

Molecular Properties

Compound Namebis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate
PubChem CID157118512
Molecular FormulaC348H257F51N34O36Ru6S12
Molecular Weight7451.21 g/mol
Exact Mass7450.94
IUPAC Namebis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate
SMILESCCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.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(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)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(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.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.[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/2C42H29N3O6.2C34H23N3O6.C30H20F9N3O6.C26H17F6N3O6.2C23H20F6NS.4C22H19F6N2S.6CNS.6Ru/c2*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;2*38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;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;2*1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;4*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;6*2-1-3;;;;;;/h2*1-29H;2*1-23H;1-11,15-17H,12-14H2;1-10,13-15H,11-12H2;2*7,9-14H,2-6H2,1H3;4*7,9-13H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b2*40-24+,41-25+,42-26+;2*33-17+,34-18+;21-5+,22-6+,23-7+;19-5+,20-6+;;;;;;;;;;;;;;;;;;
InChIKeyIJJULULDOMADDA-ONCQLYASSA-N
XLogP94.02
TPSA968.12 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds120
Heavy Atoms487
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007451.21
LogP ≤ 594.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

N,N-bis(4-pentylphenyl)-2-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyridin-4-amine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701119
2-[3-(Difluoromethyl)pyrazol-1-id-5-yl]-4-(5-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;[2-[4-formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140780305
[2-[4-Formyloxy-6-[6-[2-(3-hexylthiophen-2-yl)ethynyl]pyrimidin-4-yl]-2-pyridinyl]-4-pyridinyl] formate;4-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780436
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;5-(5-hexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780445
[2-[4-Formyloxy-6-[5-[2-(4-pentylphenyl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;2-(5-hexylthiophen-2-yl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)
CID 140780464
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-1,3,5-triazin-2-yl]-4-pyridinyl] formate;4-(5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780515
N,N-bis(4-methylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazin-2-amine;[2-[4-formyloxy-6-[4-[5-(4-prop-1-ynylthiophen-3-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 153435198
[2-[4-Formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;ruthenium(2+);isothiocyanate
CID 153435203
2,4-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;[2-[4-formyloxy-6-[4-[5-(7-thiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 153435207
5-(4,5-Dimethylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-6-pyrimidin-4-yl-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 153435215
[2-[4-Formyloxy-6-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153435234
[2-[4-Formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;isothiocyanate
CID 153435248

Frequently Asked Questions

What is the IUPAC name of bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate?
The IUPAC name of bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate (CID 157118512) is bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate.
What is the SMILES notation for bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate?
The canonical SMILES for bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate is CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C(F)(F)F)cc2C(F)(F)F)n1.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(/OC=O)c3ccccc3)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(/C=C(\CC(F)(F)F)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(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.O=CO/C(=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(/C=C(/OC=O)c4ccccc4)ccn3)n2)c1)c1ccccc1.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.[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 bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate?
The InChIKey is IJJULULDOMADDA-ONCQLYASSA-N. The full InChI is InChI=1S/2C42H29N3O6.2C34H23N3O6.C30H20F9N3O6.C26H17F6N3O6.2C23H20F6NS.4C22H19F6N2S.6CNS.6Ru/c2*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;2*38-21-41-28-19-31(29-15-24(11-13-35-29)17-33(42-22-39)26-7-3-1-4-8-26)37-32(20-28)30-16-25(12-14-36-30)18-34(43-23-40)27-9-5-2-6-10-27;31-28(32,33)12-21(46-15-43)5-18-1-3-40-24(8-18)26-10-20(7-23(48-17-45)14-30(37,38)39)11-27(42-26)25-9-19(2-4-41-25)6-22(47-16-44)13-29(34,35)36;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;2*1-2-3-4-5-6-15-10-12-31-21(15)16-9-11-30-20(13-16)18-8-7-17(22(24,25)26)14-19(18)23(27,28)29;4*1-2-3-4-5-6-14-10-12-31-19(14)18-9-11-29-20(30-18)16-8-7-15(21(23,24)25)13-17(16)22(26,27)28;6*2-1-3;;;;;;/h2*1-29H;2*1-23H;1-11,15-17H,12-14H2;1-10,13-15H,11-12H2;2*7,9-14H,2-6H2,1H3;4*7,9-13H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b2*40-24+,41-25+,42-26+;2*33-17+,34-18+;21-5+,22-6+,23-7+;19-5+,20-6+;;;;;;;;;;;;;;;;;;.
What are the key properties of bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate?
bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate has a molecular weight of 7451.21 g/mol, XLogP of 94.02, 120 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(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(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate is sourced from PubChem (CID 157118512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).