cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine

C43H51CoN3O2 — CID 139162088

IUPACcobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])n3)n2)c([O-])c(C(C)(C)C)c1.[Co+2].c1ccncc1
InChIInChI=1S/C38H48N2O2.C5H5N.Co/c1-35(2,3)23-19-25(33(41)27(21-23)37(7,8)9)29-15-13-17-31(39-29)32-18-14-16-30(40-32)26-20-24(36(4,5)6)22-28(34(26)42)38(10,11)12;1-2-4-6-5-3-1;/h13-22,41-42H,1-12H3;1-5H;/q;;+2/p-2
InChIKeyUFGWUGCSURTXMO-UHFFFAOYSA-L
MW700.83 g/mol
LogP9.89
Rot. Bonds3

About cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine

cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine (PubChem CID 139162088) has the molecular formula C43H51CoN3O2 and a molecular weight of 700.83 g/mol. Its IUPAC name is cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine.

Molecular Properties

Compound Namecobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine
PubChem CID139162088
Molecular FormulaC43H51CoN3O2
Molecular Weight700.83 g/mol
Exact Mass700.33
IUPAC Namecobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])n3)n2)c([O-])c(C(C)(C)C)c1.[Co+2].c1ccncc1
InChIInChI=1S/C38H48N2O2.C5H5N.Co/c1-35(2,3)23-19-25(33(41)27(21-23)37(7,8)9)29-15-13-17-31(39-29)32-18-14-16-30(40-32)26-20-24(36(4,5)6)22-28(34(26)42)38(10,11)12;1-2-4-6-5-3-1;/h13-22,41-42H,1-12H3;1-5H;/q;;+2/p-2
InChIKeyUFGWUGCSURTXMO-UHFFFAOYSA-L
XLogP9.89
TPSA84.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.83
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine with MolForge

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Related Compounds

2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
2,6-Bis{bis(2-pyridylmethyl)aminomethyl}-4-t-butylphenol
CID 12125964
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-6-(((2-hydroxybenzyl)(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 11445866
2-[[Benzyl(pyridin-2-ylmethyl)amino]methyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
CID 12105606
2,4-Ditert-butyl-6-[[2-(1-methylindol-3-yl)ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91456218
4-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91576029
2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-tritylphenol
CID 102128798
4-[4-[[2,7-Ditert-butyl-5-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]-9,9-dimethylxanthen-4-yl]methoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102201666
2,6-Bis[bis(2-pyridylmethyl) aminoethyl]-4-methylphenol
CID 129693569
5,11,23-Trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
CID 137309359
ZINC;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;quinoline
CID 139038761

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine?
The IUPAC name of cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine (CID 139162088) is cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine.
What is the SMILES notation for cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine?
The canonical SMILES for cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine is CC(C)(C)c1cc(-c2cccc(-c3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])n3)n2)c([O-])c(C(C)(C)C)c1.[Co+2].c1ccncc1.
What is the InChIKey of cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine?
The InChIKey is UFGWUGCSURTXMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H48N2O2.C5H5N.Co/c1-35(2,3)23-19-25(33(41)27(21-23)37(7,8)9)29-15-13-17-31(39-29)32-18-14-16-30(40-32)26-20-24(36(4,5)6)22-28(34(26)42)38(10,11)12;1-2-4-6-5-3-1;/h13-22,41-42H,1-12H3;1-5H;/q;;+2/p-2.
What are the key properties of cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine?
cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine has a molecular weight of 700.83 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2,4-ditert-butyl-6-[6-[6-(3,5-ditert-butyl-2-oxidophenyl)-2-pyridinyl]-2-pyridinyl]phenolate;pyridine is sourced from PubChem (CID 139162088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).