tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate

C199H135F3N22O20OsRu3S16 — CID 159118332

IUPACtetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate
SMILESCC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1.CC#Cc1ccc(/C=C/c2cc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)ncc2C(=O)O)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC(O)=CC(=O)C(F)(F)F.Cc1ccnc(-c2ccccn2)c1.N#C[S-].N#C[S-].N#C[S-].N#C[S-].O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru]
InChIInChI=1S/C36H24N2S2.C30H20N2O4S2.C29H20N2O2S2.2C28H20N2S2.2C11H8N2O2.C11H10N2.C5H5F3O2.4CHNS.2CNS.4CO2.Os.3Ru/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2;1-3-5-21-11-13-23(37-21)9-7-19-15-27(31-17-25(19)29(33)34)28-16-20(26(18-32-28)30(35)36)8-10-24-14-12-22(38-24)6-4-2;1-3-5-22-11-13-24(34-22)9-7-20-15-16-30-27(17-20)28-18-21(26(19-31-28)29(32)33)8-10-25-14-12-23(35-25)6-4-2;2*1-3-5-23-11-13-25(31-23)9-7-21-15-17-29-27(19-21)28-20-22(16-18-30-28)8-10-26-14-12-24(32-26)6-4-2;2*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;1-3(9)2-4(10)5(6,7)8;10*2-1-3;;;;/h7-24H,1-2H3;7-18H,1-2H3,(H,33,34)(H,35,36);7-19H,1-2H3,(H,32,33);2*7-20H,1-2H3;2*1-7H,(H,14,15);2-8H,1H3;2,9H,1H3;4*3H;;;;;;;;;;/q;;;;;;;;;;;;;2*-1;;;;;+2;;2*+2/p-4/b;4*9-7+,10-8+;;;;;;;;;;;;;;;;;;
InChIKeyDYIPSDJMXUPMRN-KCGAMCHKSA-J
MW4217.91 g/mol
LogP44.92
Rot. Bonds34

About tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate

tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate (PubChem CID 159118332) has the molecular formula C199H135F3N22O20OsRu3S16 and a molecular weight of 4217.91 g/mol. Its IUPAC name is tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate.

Molecular Properties

Compound Nametetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate
PubChem CID159118332
Molecular FormulaC199H135F3N22O20OsRu3S16
Molecular Weight4217.91 g/mol
Exact Mass4218.25
IUPAC Nametetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate
SMILESCC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1.CC#Cc1ccc(/C=C/c2cc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)ncc2C(=O)O)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC(O)=CC(=O)C(F)(F)F.Cc1ccnc(-c2ccccn2)c1.N#C[S-].N#C[S-].N#C[S-].N#C[S-].O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru]
InChIInChI=1S/C36H24N2S2.C30H20N2O4S2.C29H20N2O2S2.2C28H20N2S2.2C11H8N2O2.C11H10N2.C5H5F3O2.4CHNS.2CNS.4CO2.Os.3Ru/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2;1-3-5-21-11-13-23(37-21)9-7-19-15-27(31-17-25(19)29(33)34)28-16-20(26(18-32-28)30(35)36)8-10-24-14-12-22(38-24)6-4-2;1-3-5-22-11-13-24(34-22)9-7-20-15-16-30-27(17-20)28-18-21(26(19-31-28)29(32)33)8-10-25-14-12-23(35-25)6-4-2;2*1-3-5-23-11-13-25(31-23)9-7-21-15-17-29-27(19-21)28-20-22(16-18-30-28)8-10-26-14-12-24(32-26)6-4-2;2*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;1-3(9)2-4(10)5(6,7)8;10*2-1-3;;;;/h7-24H,1-2H3;7-18H,1-2H3,(H,33,34)(H,35,36);7-19H,1-2H3,(H,32,33);2*7-20H,1-2H3;2*1-7H,(H,14,15);2-8H,1H3;2,9H,1H3;4*3H;;;;;;;;;;/q;;;;;;;;;;;;;2*-1;;;;;+2;;2*+2/p-4/b;4*9-7+,10-8+;;;;;;;;;;;;;;;;;;
InChIKeyDYIPSDJMXUPMRN-KCGAMCHKSA-J
XLogP44.92
TPSA706.36 Ų
H-Bond Donors6
H-Bond Acceptors51
Rotatable Bonds34
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004217.91
LogP ≤ 544.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1051

Analyze tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate?
The IUPAC name of tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate (CID 159118332) is tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate.
What is the SMILES notation for tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate?
The canonical SMILES for tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate is CC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1.CC#Cc1ccc(/C=C/c2cc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)ncc2C(=O)O)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)c(C(=O)O)cn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1.CC(O)=CC(=O)C(F)(F)F.Cc1ccnc(-c2ccccn2)c1.N#C[S-].N#C[S-].N#C[S-].N#C[S-].O=C(O)c1ccnc(-c2ccccn2)c1.O=C(O)c1ccnc(-c2ccccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.[N-]=C=S.[N-]=C=S.[Os+2].[Ru+2].[Ru+2].[Ru].
What is the InChIKey of tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate?
The InChIKey is DYIPSDJMXUPMRN-KCGAMCHKSA-J. The full InChI is InChI=1S/C36H24N2S2.C30H20N2O4S2.C29H20N2O2S2.2C28H20N2S2.2C11H8N2O2.C11H10N2.C5H5F3O2.4CHNS.2CNS.4CO2.Os.3Ru/c1-3-5-31-15-17-35(39-31)27-11-7-25(8-12-27)29-19-21-37-33(23-29)34-24-30(20-22-38-34)26-9-13-28(14-10-26)36-18-16-32(40-36)6-4-2;1-3-5-21-11-13-23(37-21)9-7-19-15-27(31-17-25(19)29(33)34)28-16-20(26(18-32-28)30(35)36)8-10-24-14-12-22(38-24)6-4-2;1-3-5-22-11-13-24(34-22)9-7-20-15-16-30-27(17-20)28-18-21(26(19-31-28)29(32)33)8-10-25-14-12-23(35-25)6-4-2;2*1-3-5-23-11-13-25(31-23)9-7-21-15-17-29-27(19-21)28-20-22(16-18-30-28)8-10-26-14-12-24(32-26)6-4-2;2*14-11(15)8-4-6-13-10(7-8)9-3-1-2-5-12-9;1-9-5-7-13-11(8-9)10-4-2-3-6-12-10;1-3(9)2-4(10)5(6,7)8;10*2-1-3;;;;/h7-24H,1-2H3;7-18H,1-2H3,(H,33,34)(H,35,36);7-19H,1-2H3,(H,32,33);2*7-20H,1-2H3;2*1-7H,(H,14,15);2-8H,1H3;2,9H,1H3;4*3H;;;;;;;;;;/q;;;;;;;;;;;;;2*-1;;;;;+2;;2*+2/p-4/b;4*9-7+,10-8+;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate?
tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate has a molecular weight of 4217.91 g/mol, XLogP of 44.92, 34 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);6-[5-carboxy-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]-4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]pyridine-3-carboxylic acid;4-methyl-2-pyridin-2-ylpyridine;osmium(2+);bis(4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine);4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-6-[4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2-pyridinyl]pyridine-3-carboxylic acid;4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-[4-[4-(5-prop-1-ynylthiophen-2-yl)phenyl]-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine-4-carboxylic acid);ruthenium;bis(ruthenium(2+));1,1,1-trifluoro-4-hydroxypent-3-en-2-one;diisothiocyanate;tetrathiocyanate is sourced from PubChem (CID 159118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).