bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)

C284H396Co4N24O32+10 — CID 160860925

IUPACbis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
SMILESC.C.C.C.C.C.C.C.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3]
InChIInChI=1S/4C34H48N2O4.2C34H50N2O2.6C12H12N2O2.8CH4.4Co/c4*37-29-40-26-18-14-10-6-2-4-8-12-16-20-31-23-25-36-33(28-31)32-27-30(22-24-35-32)19-15-11-7-3-1-5-9-13-17-21-34(38)39;2*1-2-3-4-5-6-7-9-12-15-18-21-30-24-26-35-32(28-30)33-29-31(25-27-36-33)22-19-16-13-10-8-11-14-17-20-23-34(37)38;6*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;;;;;;;;;;;;/h4*7-8,11-12,22-25,27-29H,1-6,9-10,13-21,26H2,(H,38,39);2*12-13,15-16,24-29H,2-11,14,17-23H2,1H3,(H,37,38);6*3-8H,1-2H3;8*1H4;;;;/q;;;;;;;;;;;;;;;;;;;;2*+2;2*+3
InChIKeySKLWWNPTCQXIMY-UHFFFAOYSA-N
MW4894.16 g/mol
LogP71.22
Rot. Bonds158

About bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)

bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) (PubChem CID 160860925) has the molecular formula C284H396Co4N24O32+10 and a molecular weight of 4894.16 g/mol. Its IUPAC name is bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine).

Molecular Properties

Compound Namebis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
PubChem CID160860925
Molecular FormulaC284H396Co4N24O32+10
Molecular Weight4894.16 g/mol
Exact Mass4890.74
IUPAC Namebis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
SMILESC.C.C.C.C.C.C.C.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3]
InChIInChI=1S/4C34H48N2O4.2C34H50N2O2.6C12H12N2O2.8CH4.4Co/c4*37-29-40-26-18-14-10-6-2-4-8-12-16-20-31-23-25-36-33(28-31)32-27-30(22-24-35-32)19-15-11-7-3-1-5-9-13-17-21-34(38)39;2*1-2-3-4-5-6-7-9-12-15-18-21-30-24-26-35-32(28-30)33-29-31(25-27-36-33)22-19-16-13-10-8-11-14-17-20-23-34(37)38;6*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;;;;;;;;;;;;/h4*7-8,11-12,22-25,27-29H,1-6,9-10,13-21,26H2,(H,38,39);2*12-13,15-16,24-29H,2-11,14,17-23H2,1H3,(H,37,38);6*3-8H,1-2H3;8*1H4;;;;/q;;;;;;;;;;;;;;;;;;;;2*+2;2*+3
InChIKeySKLWWNPTCQXIMY-UHFFFAOYSA-N
XLogP71.22
TPSA749.12 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds158
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004894.16
LogP ≤ 571.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) with MolForge

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Related Compounds

2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
CID 157314476
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid
CID 158959065
DZn,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-methoxypyridin-6-yl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731958
Dicopper;bis(6-(6-carboxylato-3-methoxy-2-pyridinyl)-5-methoxypyridine-2-carboxylate);bis(pyridine);nonahydrate
CID 139199726
Hexakis(2-pyridin-2-ylpyridine);11-[3-[(2-pyridin-2-yl-4-pyridinyl)oxy]-2,2-bis[(2-pyridin-2-yl-4-pyridinyl)oxymethyl]propoxy]undecanoic acid;ruthenium
CID 59993689
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
CID 140694724
Cobalt(3+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
CID 140694726
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(2+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
CID 140694732
Cobalt(2+);tris(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)
CID 140694735
2-(3,4-Difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid
CID 157228188
bis(cobalt(2+));tris(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;hexakis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);hexakis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid
CID 157683589
bis(2-[2-[4-(carboxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tris(cobalt(2+));bis(cobalt(3+));(Z)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;(E)-18-[2-[4-[(E)-17-formyloxyheptadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid;tetrakis(2-[2-[4-(formyloxymethyl)-2-pyridinyl]-4-pyridinyl]acetic acid);tetrakis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);(E)-18-[2-[4-[(E)-octadec-9-enyl]-2-pyridinyl]-4-pyridinyl]octadec-9-enoic acid
CID 158630956

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The IUPAC name of bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) (CID 160860925) is bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine).
What is the SMILES notation for bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The canonical SMILES for bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) is C.C.C.C.C.C.C.C.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.CCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.COc1cccnc1-c1ncccc1OC.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.O=COCCCCCCCC=CCCc1ccnc(-c2cc(CCC=CCCCCCCCC(=O)O)ccn2)c1.[Co+2].[Co+2].[Co+3].[Co+3].
What is the InChIKey of bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
The InChIKey is SKLWWNPTCQXIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H48N2O4.2C34H50N2O2.6C12H12N2O2.8CH4.4Co/c4*37-29-40-26-18-14-10-6-2-4-8-12-16-20-31-23-25-36-33(28-31)32-27-30(22-24-35-32)19-15-11-7-3-1-5-9-13-17-21-34(38)39;2*1-2-3-4-5-6-7-9-12-15-18-21-30-24-26-35-32(28-30)33-29-31(25-27-36-33)22-19-16-13-10-8-11-14-17-20-23-34(37)38;6*1-15-9-5-3-7-13-11(9)12-10(16-2)6-4-8-14-12;;;;;;;;;;;;/h4*7-8,11-12,22-25,27-29H,1-6,9-10,13-21,26H2,(H,38,39);2*12-13,15-16,24-29H,2-11,14,17-23H2,1H3,(H,37,38);6*3-8H,1-2H3;8*1H4;;;;/q;;;;;;;;;;;;;;;;;;;;2*+2;2*+3.
What are the key properties of bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine)?
bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) has a molecular weight of 4894.16 g/mol, XLogP of 71.22, 158 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis(cobalt(3+));bis(12-[2-(4-dodec-3-enyl-2-pyridinyl)-4-pyridinyl]dodec-9-enoic acid);tetrakis(12-[2-[4-(11-formyloxyundec-3-enyl)-2-pyridinyl]-4-pyridinyl]dodec-9-enoic acid);methane;hexakis(3-methoxy-2-(3-methoxy-2-pyridinyl)pyridine) is sourced from PubChem (CID 160860925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).