cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)

C76H54CoN6O6+3 — CID 11980908

IUPACcobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)
SMILESO=C(O)C(O)C(O)C(=O)O.[Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.C4H6O6.Co/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;5-1(3(7)8)2(6)4(9)10;/h3*1-16H;1-2,5-6H,(H,7,8)(H,9,10);/q;;;;+3
InChIKeyFWQJXRQYFRFHKY-UHFFFAOYSA-N
MW1206.24 g/mol
LogP16.23
Rot. Bonds9

About cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)

cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) (PubChem CID 11980908) has the molecular formula C76H54CoN6O6+3 and a molecular weight of 1206.24 g/mol. Its IUPAC name is cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline).

Molecular Properties

Compound Namecobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)
PubChem CID11980908
Molecular FormulaC76H54CoN6O6+3
Molecular Weight1206.24 g/mol
Exact Mass1205.34
IUPAC Namecobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)
SMILESO=C(O)C(O)C(O)C(=O)O.[Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.C4H6O6.Co/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;5-1(3(7)8)2(6)4(9)10;/h3*1-16H;1-2,5-6H,(H,7,8)(H,9,10);/q;;;;+3
InChIKeyFWQJXRQYFRFHKY-UHFFFAOYSA-N
XLogP16.23
TPSA192.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.24
LogP ≤ 516.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) 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(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)?
The IUPAC name of cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) (CID 11980908) is cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline).
What is the SMILES notation for cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)?
The canonical SMILES for cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) is O=C(O)C(O)C(O)C(=O)O.[Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)?
The InChIKey is FWQJXRQYFRFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H16N2.C4H6O6.Co/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;5-1(3(7)8)2(6)4(9)10;/h3*1-16H;1-2,5-6H,(H,7,8)(H,9,10);/q;;;;+3.
What are the key properties of cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline)?
cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) has a molecular weight of 1206.24 g/mol, XLogP of 16.23, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2,3-dihydroxybutanedioic acid;tris(4,7-diphenyl-1,10-phenanthroline) is sourced from PubChem (CID 11980908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).