carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate

C324H261F16N61O19Ru8S15 — CID 159319458

IUPACcarbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2ccc[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2nc(C)n[n-]2)c1.O=C=O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2cc(/C=C\C#N)ccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C22H23F3N3O.C22H13N5O2.C21H21F3N3S.2C21H20F2NS.2C19H19F3N3S.7C19H12N4O2.C19H21N2S.C18H21N4S.8CNS.CO2.8Ru/c1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-24-21(22(28)29)14-16-12-19(17-6-2-3-9-25-17)27-20(13-16)18-11-15(5-4-8-23)7-10-26-18;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;2*1-2-3-4-5-6-15-8-10-25-21(15)16-7-9-24-20(13-16)17-11-18(22)14-19(23)12-17;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;1-2-3-4-5-6-13-9-10-26-18(13)14-7-8-15(23-12-14)16-11-17(25-24-16)19(20,21)22;7*1-20-18(19(24)25)12-13-10-16(14-6-2-4-8-21-14)23-17(11-13)15-7-3-5-9-22-15;1-2-3-4-5-7-15-10-13-22-19(15)16-9-12-21-18(14-16)17-8-6-11-20-17;1-3-4-5-6-7-14-9-11-23-17(14)15-8-10-19-16(12-15)18-20-13(2)21-22-18;9*2-1-3;;;;;;;;/h7-11,13-14H,3-6,12H2,1-2H3;2-7,9-14H,(H,28,29);7-14H,2-6H2,1H3;2*7-11,13-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;7*2-12H,(H,24,25);6,8-14H,2-5,7H2,1H3;8-12H,3-7H2,1-2H3;;;;;;;;;;;;;;;;;/q-1;;5*-1;;;;;;;;10*-1;;8*+2/b;5-4-,21-14+;8-7+;;;;;7*18-12+;;;;;;;;;;;;;;;;;;;
InChIKeyLCYGDVTUMXQMEW-BCOIOBTPSA-N
MW6906.59 g/mol
LogP81.64
Rot. Bonds91

About carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate

carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate (PubChem CID 159319458) has the molecular formula C324H261F16N61O19Ru8S15 and a molecular weight of 6906.59 g/mol. Its IUPAC name is carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate.

Molecular Properties

Compound Namecarbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate
PubChem CID159319458
Molecular FormulaC324H261F16N61O19Ru8S15
Molecular Weight6906.59 g/mol
Exact Mass6907.92
IUPAC Namecarbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2ccc[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2nc(C)n[n-]2)c1.O=C=O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2cc(/C=C\C#N)ccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C22H23F3N3O.C22H13N5O2.C21H21F3N3S.2C21H20F2NS.2C19H19F3N3S.7C19H12N4O2.C19H21N2S.C18H21N4S.8CNS.CO2.8Ru/c1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-24-21(22(28)29)14-16-12-19(17-6-2-3-9-25-17)27-20(13-16)18-11-15(5-4-8-23)7-10-26-18;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;2*1-2-3-4-5-6-15-8-10-25-21(15)16-7-9-24-20(13-16)17-11-18(22)14-19(23)12-17;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;1-2-3-4-5-6-13-9-10-26-18(13)14-7-8-15(23-12-14)16-11-17(25-24-16)19(20,21)22;7*1-20-18(19(24)25)12-13-10-16(14-6-2-4-8-21-14)23-17(11-13)15-7-3-5-9-22-15;1-2-3-4-5-7-15-10-13-22-19(15)16-9-12-21-18(14-16)17-8-6-11-20-17;1-3-4-5-6-7-14-9-11-23-17(14)15-8-10-19-16(12-15)18-20-13(2)21-22-18;9*2-1-3;;;;;;;;/h7-11,13-14H,3-6,12H2,1-2H3;2-7,9-14H,(H,28,29);7-14H,2-6H2,1H3;2*7-11,13-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;7*2-12H,(H,24,25);6,8-14H,2-5,7H2,1H3;8-12H,3-7H2,1-2H3;;;;;;;;;;;;;;;;;/q-1;;5*-1;;;;;;;;10*-1;;8*+2/b;5-4-,21-14+;8-7+;;;;;7*18-12+;;;;;;;;;;;;;;;;;;;
InChIKeyLCYGDVTUMXQMEW-BCOIOBTPSA-N
XLogP81.64
TPSA1153.26 Ų
H-Bond Donors8
H-Bond Acceptors65
Rotatable Bonds91
Heavy Atoms443
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006906.59
LogP ≤ 581.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1065

Analyze carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

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
[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;2-(4-hexylphenyl)-4,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;ruthenium(2+)
CID 153435329
[2-[6-[4-[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyrimidin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;[2-[6-[4-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-1,3,5-triazin-2-yl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);bis(ruthenium(2+));triisothiocyanate
CID 157059348
5-(5-Butylthiophen-2-yl)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;5-(5-butylthiophen-2-yl)-2-[3-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-id-5-yl]pyridine;5-(3,5-dimethylthiophen-2-yl)-2-[3-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-5-yl]pyridine;2-[3-(2-fluoropropan-2-yl)pyrazol-1-id-5-yl]-5-(5-methylthiophen-2-yl)pyridine;tetrakis(2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid);tetrakis(ruthenium(2+));tetraisothiocyanate
CID 157180542
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;bis([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[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)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));triisothiocyanate
CID 157366112
CID 157822470
CID 157822470
CID 157991836
CID 157991836
bis([2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-methoxy-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(3H-thiophen-3-id-2-yl)pyrimidine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(ruthenium(2+));triisothiocyanate
CID 157998024
CID 158126533
CID 158126533
CID 158161972
CID 158161972
Tris([2-[4-formyloxy-6-[4-(5-thiophen-2-ylthiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);4-heptoxy-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-heptylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris(ruthenium(2+));triisothiocyanate
CID 158661078
CID 159470803
CID 159470803

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate?
The IUPAC name of carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate (CID 159319458) is carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate.
What is the SMILES notation for carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate?
The canonical SMILES for carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate is CCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2[c-]c(F)cc(F)c2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2ccc[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2nc(C)n[n-]2)c1.O=C=O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2cc(/C=C\C#N)ccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[C-]#[N+]/C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)C(=O)O.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2].
What is the InChIKey of carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate?
The InChIKey is LCYGDVTUMXQMEW-BCOIOBTPSA-N. The full InChI is InChI=1S/C22H23F3N3O.C22H13N5O2.C21H21F3N3S.2C21H20F2NS.2C19H19F3N3S.7C19H12N4O2.C19H21N2S.C18H21N4S.8CNS.CO2.8Ru/c1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-24-21(22(28)29)14-16-12-19(17-6-2-3-9-25-17)27-20(13-16)18-11-15(5-4-8-23)7-10-26-18;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;2*1-2-3-4-5-6-15-8-10-25-21(15)16-7-9-24-20(13-16)17-11-18(22)14-19(23)12-17;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;1-2-3-4-5-6-13-9-10-26-18(13)14-7-8-15(23-12-14)16-11-17(25-24-16)19(20,21)22;7*1-20-18(19(24)25)12-13-10-16(14-6-2-4-8-21-14)23-17(11-13)15-7-3-5-9-22-15;1-2-3-4-5-7-15-10-13-22-19(15)16-9-12-21-18(14-16)17-8-6-11-20-17;1-3-4-5-6-7-14-9-11-23-17(14)15-8-10-19-16(12-15)18-20-13(2)21-22-18;9*2-1-3;;;;;;;;/h7-11,13-14H,3-6,12H2,1-2H3;2-7,9-14H,(H,28,29);7-14H,2-6H2,1H3;2*7-11,13-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;7*2-12H,(H,24,25);6,8-14H,2-5,7H2,1H3;8-12H,3-7H2,1-2H3;;;;;;;;;;;;;;;;;/q-1;;5*-1;;;;;;;;10*-1;;8*+2/b;5-4-,21-14+;8-7+;;;;;7*18-12+;;;;;;;;;;;;;;;;;;;.
What are the key properties of carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate?
carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate has a molecular weight of 6906.59 g/mol, XLogP of 81.64, 91 rotatable bonds, 8 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(E)-3-[2-[4-[(Z)-2-cyanoethenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]-2-isocyanoprop-2-enoic acid;bis(2-(3,5-difluorobenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)pyridine);heptakis((E)-3-(2,6-dipyridin-2-yl-4-pyridinyl)-2-isocyanoprop-2-enoic acid);5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(3-hexylthiophen-2-yl)-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-ylpyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(ruthenium(2+));octaisothiocyanate is sourced from PubChem (CID 159319458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).