carbon monoxide;cobalt;hexakis(pyridine)

C38H30Co3N6O8 — CID 135047950

IUPACcarbon monoxide;cobalt;hexakis(pyridine)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/6C5H5N.8CO.3Co/c6*1-2-4-6-5-3-1;8*1-2;;;/h6*1-5H;;;;;;;;;;;
InChIKeyNVPFVIXRQFMBLK-UHFFFAOYSA-N
MW875.49 g/mol
LogP6.18
Rot. Bonds

About carbon monoxide;cobalt;hexakis(pyridine)

carbon monoxide;cobalt;hexakis(pyridine) (PubChem CID 135047950) has the molecular formula C38H30Co3N6O8 and a molecular weight of 875.49 g/mol. Its IUPAC name is carbon monoxide;cobalt;hexakis(pyridine).

Molecular Properties

Compound Namecarbon monoxide;cobalt;hexakis(pyridine)
PubChem CID135047950
Molecular FormulaC38H30Co3N6O8
Molecular Weight875.49 g/mol
Exact Mass875.01
IUPAC Namecarbon monoxide;cobalt;hexakis(pyridine)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/6C5H5N.8CO.3Co/c6*1-2-4-6-5-3-1;8*1-2;;;/h6*1-5H;;;;;;;;;;;
InChIKeyNVPFVIXRQFMBLK-UHFFFAOYSA-N
XLogP6.18
TPSA236.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.49
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;hexakis(pyridine)?
The IUPAC name of carbon monoxide;cobalt;hexakis(pyridine) (CID 135047950) is carbon monoxide;cobalt;hexakis(pyridine).
What is the SMILES notation for carbon monoxide;cobalt;hexakis(pyridine)?
The canonical SMILES for carbon monoxide;cobalt;hexakis(pyridine) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of carbon monoxide;cobalt;hexakis(pyridine)?
The InChIKey is NVPFVIXRQFMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H5N.8CO.3Co/c6*1-2-4-6-5-3-1;8*1-2;;;/h6*1-5H;;;;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;hexakis(pyridine)?
carbon monoxide;cobalt;hexakis(pyridine) has a molecular weight of 875.49 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;hexakis(pyridine) is sourced from PubChem (CID 135047950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).