cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc

C204H238CoN13NiO33SVZn2-5 — CID 158800583

IUPACcobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc
SMILESC=C(CCc1[n-]c(C(C)=C2N=C(CCCC(=O)O)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.C=C(CCc1[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.CC(=O)C=C(C)O.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=Cc1ccccc1O.O=Cc1ccccc1O.O=[V].[C-]#[N+]c1c(SCC(=O)O)[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2c2ccccc2)c1-c1ccccc1.[Co].[Ni].[Zn].[Zn]
InChIInChI=1S/C40H58N2O8.C36H52N2O6.C35H35N3O4S.2C31H34N2O2.2C7H6O2.2C6H5NO2.C5H8O2.Co.Ni.O.V.2Zn/c1-20-16-22(3)37(23(4)17-20)48-39(45)33-27(8)35(41-30(33)12-11-13-32(43)44)29(10)36-28(9)34(31(42-36)15-14-26(7)50-47)40(46)49-38-24(5)18-21(2)19-25(38)6;1-18-13-20(3)33(21(4)14-18)42-35(39)31-25(8)29(37-27(31)10)17-30-26(9)32(28(38-30)12-11-24(7)44-41)36(40)43-34-22(5)15-19(2)16-23(34)6;1-20-16-21(2)33(22(3)17-20)42-35(41)29-23(4)37-26(30(29)24-12-8-6-9-13-24)18-27-31(25-14-10-7-11-15-25)32(36-5)34(38-27)43-19-28(39)40;2*1-18-15-19(2)30(20(3)16-18)35-31(34)28-22(5)33-27(29(28)23-11-7-6-8-12-23)17-26-25-14-10-9-13-24(25)21(4)32-26;2*8-5-6-3-1-2-4-7(6)9;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h20-25,37-38H,7,11-19H2,1-6,8-10H3,(H3,41,42,43,44,45,46,47);17-23,33-34H,7,11-16H2,1-6,8-10H3,(H2,37,38,39,40,41);6-15,18,20-22,33H,16-17,19H2,1-4H3,(H2,37,38,39,40,41);2*6-14,17-20,30H,15-16H2,1-5H3,(H,32,33,34);2*1-5,9H;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;/p-5
InChIKeyWWKNCZXKWNMLET-UHFFFAOYSA-I
MW3731.62 g/mol
LogP43.48
Rot. Bonds43

About cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc

cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc (PubChem CID 158800583) has the molecular formula C204H238CoN13NiO33SVZn2-5 and a molecular weight of 3731.62 g/mol. Its IUPAC name is cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc.

Molecular Properties

Compound Namecobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc
PubChem CID158800583
Molecular FormulaC204H238CoN13NiO33SVZn2-5
Molecular Weight3731.62 g/mol
Exact Mass3725.38
IUPAC Namecobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc
SMILESC=C(CCc1[n-]c(C(C)=C2N=C(CCCC(=O)O)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.C=C(CCc1[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.CC(=O)C=C(C)O.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=Cc1ccccc1O.O=Cc1ccccc1O.O=[V].[C-]#[N+]c1c(SCC(=O)O)[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2c2ccccc2)c1-c1ccccc1.[Co].[Ni].[Zn].[Zn]
InChIInChI=1S/C40H58N2O8.C36H52N2O6.C35H35N3O4S.2C31H34N2O2.2C7H6O2.2C6H5NO2.C5H8O2.Co.Ni.O.V.2Zn/c1-20-16-22(3)37(23(4)17-20)48-39(45)33-27(8)35(41-30(33)12-11-13-32(43)44)29(10)36-28(9)34(31(42-36)15-14-26(7)50-47)40(46)49-38-24(5)18-21(2)19-25(38)6;1-18-13-20(3)33(21(4)14-18)42-35(39)31-25(8)29(37-27(31)10)17-30-26(9)32(28(38-30)12-11-24(7)44-41)36(40)43-34-22(5)15-19(2)16-23(34)6;1-20-16-21(2)33(22(3)17-20)42-35(41)29-23(4)37-26(30(29)24-12-8-6-9-13-24)18-27-31(25-14-10-7-11-15-25)32(36-5)34(38-27)43-19-28(39)40;2*1-18-15-19(2)30(20(3)16-18)35-31(34)28-22(5)33-27(29(28)23-11-7-6-8-12-23)17-26-25-14-10-9-13-24(25)21(4)32-26;2*8-5-6-3-1-2-4-7(6)9;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h20-25,37-38H,7,11-19H2,1-6,8-10H3,(H3,41,42,43,44,45,46,47);17-23,33-34H,7,11-16H2,1-6,8-10H3,(H2,37,38,39,40,41);6-15,18,20-22,33H,16-17,19H2,1-4H3,(H2,37,38,39,40,41);2*6-14,17-20,30H,15-16H2,1-5H3,(H,32,33,34);2*1-5,9H;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;/p-5
InChIKeyWWKNCZXKWNMLET-UHFFFAOYSA-I
XLogP43.48
TPSA683.63 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds43
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003731.62
LogP ≤ 543.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc?
The IUPAC name of cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc (CID 158800583) is cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc.
What is the SMILES notation for cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc?
The canonical SMILES for cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc is C=C(CCc1[n-]c(C(C)=C2N=C(CCCC(=O)O)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.C=C(CCc1[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2C)c(C)c1C(=O)OC1C(C)CC(C)CC1C)OO.CC(=O)C=C(C)O.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=Cc1ccccc1O.O=Cc1ccccc1O.O=[V].[C-]#[N+]c1c(SCC(=O)O)[n-]c(C=C2N=C(C)C(C(=O)OC3C(C)CC(C)CC3C)=C2c2ccccc2)c1-c1ccccc1.[Co].[Ni].[Zn].[Zn].
What is the InChIKey of cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc?
The InChIKey is WWKNCZXKWNMLET-UHFFFAOYSA-I. The full InChI is InChI=1S/C40H58N2O8.C36H52N2O6.C35H35N3O4S.2C31H34N2O2.2C7H6O2.2C6H5NO2.C5H8O2.Co.Ni.O.V.2Zn/c1-20-16-22(3)37(23(4)17-20)48-39(45)33-27(8)35(41-30(33)12-11-13-32(43)44)29(10)36-28(9)34(31(42-36)15-14-26(7)50-47)40(46)49-38-24(5)18-21(2)19-25(38)6;1-18-13-20(3)33(21(4)14-18)42-35(39)31-25(8)29(37-27(31)10)17-30-26(9)32(28(38-30)12-11-24(7)44-41)36(40)43-34-22(5)15-19(2)16-23(34)6;1-20-16-21(2)33(22(3)17-20)42-35(41)29-23(4)37-26(30(29)24-12-8-6-9-13-24)18-27-31(25-14-10-7-11-15-25)32(36-5)34(38-27)43-19-28(39)40;2*1-18-15-19(2)30(20(3)16-18)35-31(34)28-22(5)33-27(29(28)23-11-7-6-8-12-23)17-26-25-14-10-9-13-24(25)21(4)32-26;2*8-5-6-3-1-2-4-7(6)9;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h20-25,37-38H,7,11-19H2,1-6,8-10H3,(H3,41,42,43,44,45,46,47);17-23,33-34H,7,11-16H2,1-6,8-10H3,(H2,37,38,39,40,41);6-15,18,20-22,33H,16-17,19H2,1-4H3,(H2,37,38,39,40,41);2*6-14,17-20,30H,15-16H2,1-5H3,(H,32,33,34);2*1-5,9H;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;/p-5.
What are the key properties of cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc?
cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc has a molecular weight of 3731.62 g/mol, XLogP of 43.48, 43 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4-[5-[1-[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]ethylidene]-4-methyl-3-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-yl]butanoic acid;bis(2-hydroxybenzaldehyde);4-hydroxypent-3-en-2-one;2-[3-isocyano-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-id-2-yl]sulfanylacetic acid;nickel;oxovanadium;bis(pyridine-2-carboxylic acid);(2,4,6-trimethylcyclohexyl) 5-[[5-(3-hydroperoxybut-3-enyl)-3-methyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-1-id-2-yl]methylidene]-2,4-dimethylpyrrole-3-carboxylate;bis((2,4,6-trimethylcyclohexyl) 2-methyl-5-[(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate);zinc is sourced from PubChem (CID 158800583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).