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

C72H48CoN6+3 — CID 11979785

IUPACcobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)
SMILES[Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.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;/h3*1-16H;/q;;;+3
InChIKeyBCNHMYFKDBGOKH-UHFFFAOYSA-N
MW1056.15 g/mol
LogP18.35
Rot. Bonds6

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

cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline) (PubChem CID 11979785) has the molecular formula C72H48CoN6+3 and a molecular weight of 1056.15 g/mol. Its IUPAC name is cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline).

Molecular Properties

Compound Namecobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)
PubChem CID11979785
Molecular FormulaC72H48CoN6+3
Molecular Weight1056.15 g/mol
Exact Mass1055.33
IUPAC Namecobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)
SMILES[Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.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;/h3*1-16H;/q;;;+3
InChIKeyBCNHMYFKDBGOKH-UHFFFAOYSA-N
XLogP18.35
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.15
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)?
The IUPAC name of cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline) (CID 11979785) is cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline).
What is the SMILES notation for cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)?
The canonical SMILES for cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline) is [Co+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)?
The InChIKey is BCNHMYFKDBGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H16N2.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;/h3*1-16H;/q;;;+3.
What are the key properties of cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline)?
cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline) has a molecular weight of 1056.15 g/mol, XLogP of 18.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(4,7-diphenyl-1,10-phenanthroline) is sourced from PubChem (CID 11979785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).