tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate

C42H42Cl2CoN10O8 — CID 139165388

IUPACtetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC(c1ccccn1)(c1ccccn1)c1ccccn1.CC(c1ccccn1)(c1ccccn1)c1ccccn1.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H15N3.4C2H3N.2ClHO4.Co/c2*1-17(14-8-2-5-11-18-14,15-9-3-6-12-19-15)16-10-4-7-13-20-16;4*1-2-3;2*2-1(3,4)5;/h2*2-13H,1H3;4*1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyHCUJWSJQIHRARF-UHFFFAOYSA-L
MW944.70 g/mol
LogP-0.94
Rot. Bonds6

About tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate

tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate (PubChem CID 139165388) has the molecular formula C42H42Cl2CoN10O8 and a molecular weight of 944.70 g/mol. Its IUPAC name is tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate.

Molecular Properties

Compound Nametetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate
PubChem CID139165388
Molecular FormulaC42H42Cl2CoN10O8
Molecular Weight944.70 g/mol
Exact Mass943.19
IUPAC Nametetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate
SMILESCC#N.CC#N.CC#N.CC#N.CC(c1ccccn1)(c1ccccn1)c1ccccn1.CC(c1ccccn1)(c1ccccn1)c1ccccn1.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H15N3.4C2H3N.2ClHO4.Co/c2*1-17(14-8-2-5-11-18-14,15-9-3-6-12-19-15)16-10-4-7-13-20-16;4*1-2-3;2*2-1(3,4)5;/h2*2-13H,1H3;4*1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
InChIKeyHCUJWSJQIHRARF-UHFFFAOYSA-L
XLogP-0.94
TPSA356.98 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.70
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate?
The IUPAC name of tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate (CID 139165388) is tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate.
What is the SMILES notation for tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate?
The canonical SMILES for tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate is CC#N.CC#N.CC#N.CC#N.CC(c1ccccn1)(c1ccccn1)c1ccccn1.CC(c1ccccn1)(c1ccccn1)c1ccccn1.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate?
The InChIKey is HCUJWSJQIHRARF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H15N3.4C2H3N.2ClHO4.Co/c2*1-17(14-8-2-5-11-18-14,15-9-3-6-12-19-15)16-10-4-7-13-20-16;4*1-2-3;2*2-1(3,4)5;/h2*2-13H,1H3;4*1H3;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2.
What are the key properties of tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate?
tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate has a molecular weight of 944.70 g/mol, XLogP of -0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate is sourced from PubChem (CID 139165388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).