cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)

C42H38CoN4 — CID 139043845

IUPACcobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)
SMILESCc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.Cc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.[Co+2]
InChIInChI=1S/2C21H19N2.Co/c2*1-16-9-8-10-17(2)21(16)23-20(18-11-4-3-5-12-18)15-19-13-6-7-14-22-19;/h2*3-15H,1-2H3;/q2*-1;+2/b2*20-15-;
InChIKeyFEDOYUPAJYNXMJ-YTKRQRDXSA-N
MW657.73 g/mol
LogP11.80
Rot. Bonds8

About cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)

cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide) (PubChem CID 139043845) has the molecular formula C42H38CoN4 and a molecular weight of 657.73 g/mol. Its IUPAC name is cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide).

Molecular Properties

Compound Namecobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)
PubChem CID139043845
Molecular FormulaC42H38CoN4
Molecular Weight657.73 g/mol
Exact Mass657.24
IUPAC Namecobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)
SMILESCc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.Cc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.[Co+2]
InChIInChI=1S/2C21H19N2.Co/c2*1-16-9-8-10-17(2)21(16)23-20(18-11-4-3-5-12-18)15-19-13-6-7-14-22-19;/h2*3-15H,1-2H3;/q2*-1;+2/b2*20-15-;
InChIKeyFEDOYUPAJYNXMJ-YTKRQRDXSA-N
XLogP11.80
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.73
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)?
The IUPAC name of cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide) (CID 139043845) is cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide).
What is the SMILES notation for cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)?
The canonical SMILES for cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide) is Cc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.Cc1cccc(C)c1[N-]/C(=C\c1ccccn1)c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)?
The InChIKey is FEDOYUPAJYNXMJ-YTKRQRDXSA-N. The full InChI is InChI=1S/2C21H19N2.Co/c2*1-16-9-8-10-17(2)21(16)23-20(18-11-4-3-5-12-18)15-19-13-6-7-14-22-19;/h2*3-15H,1-2H3;/q2*-1;+2/b2*20-15-;.
What are the key properties of cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide)?
cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide) has a molecular weight of 657.73 g/mol, XLogP of 11.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((2,6-dimethylphenyl)-[(Z)-1-phenyl-2-pyridin-2-ylethenyl]azanide) is sourced from PubChem (CID 139043845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).