cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate

C25H16ClCoN4O7 — CID 139053385

IUPACcobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate
SMILESO=C([O-])[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.CH2O3.ClHO4.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;2-1(3,4)5;/h2*1-8H;(H2,2,3,4);(H,2,3,4,5);/q;;;;+3/p-3
InChIKeyTUFOEWBJHACLHX-UHFFFAOYSA-K
MW578.81 g/mol
LogP-1.64
Rot. Bonds

About cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate

cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate (PubChem CID 139053385) has the molecular formula C25H16ClCoN4O7 and a molecular weight of 578.81 g/mol. Its IUPAC name is cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate.

Molecular Properties

Compound Namecobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate
PubChem CID139053385
Molecular FormulaC25H16ClCoN4O7
Molecular Weight578.81 g/mol
Exact Mass578.00
IUPAC Namecobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate
SMILESO=C([O-])[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.CH2O3.ClHO4.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;2-1(3,4)5;/h2*1-8H;(H2,2,3,4);(H,2,3,4,5);/q;;;;+3/p-3
InChIKeyTUFOEWBJHACLHX-UHFFFAOYSA-K
XLogP-1.64
TPSA206.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.81
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Pt(Phen)Cl2, 2
CID 3524225
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
2-(2-Quinoxalin-2-ylethyl)-1,10-phenanthroline
CID 70114529
2-(2-Quinolin-2-ylethyl)-1,10-phenanthroline
CID 70116349

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate?
The IUPAC name of cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate (CID 139053385) is cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate.
What is the SMILES notation for cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate?
The canonical SMILES for cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate is O=C([O-])[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate?
The InChIKey is TUFOEWBJHACLHX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C12H8N2.CH2O3.ClHO4.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;2-1(3,4)5;/h2*1-8H;(H2,2,3,4);(H,2,3,4,5);/q;;;;+3/p-3.
What are the key properties of cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate?
cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate has a molecular weight of 578.81 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(1,10-phenanthroline);carbonate;perchlorate is sourced from PubChem (CID 139053385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).