cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)

C34H34CoN4O4 — CID 50910504

IUPACcobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)
SMILESCOc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.[Co+2]
InChIInChI=1S/2C17H17N2O2.Co/c2*1-20-16-8-4-14(5-9-16)18-12-3-13-19-15-6-10-17(21-2)11-7-15;/h2*3-13H,1-2H3;/q2*-1;+2/b2*12-3?,19-13+;
InChIKeyYBOOVFLIPSMVQH-SUQQYQJISA-N
MW621.60 g/mol
LogP9.25
Rot. Bonds12

About cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)

cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide) (PubChem CID 50910504) has the molecular formula C34H34CoN4O4 and a molecular weight of 621.60 g/mol. Its IUPAC name is cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide).

Molecular Properties

Compound Namecobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)
PubChem CID50910504
Molecular FormulaC34H34CoN4O4
Molecular Weight621.60 g/mol
Exact Mass621.19
IUPAC Namecobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)
SMILESCOc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.[Co+2]
InChIInChI=1S/2C17H17N2O2.Co/c2*1-20-16-8-4-14(5-9-16)18-12-3-13-19-15-6-10-17(21-2)11-7-15;/h2*3-13H,1-2H3;/q2*-1;+2/b2*12-3?,19-13+;
InChIKeyYBOOVFLIPSMVQH-SUQQYQJISA-N
XLogP9.25
TPSA89.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.60
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101383718
bis(dichloromethane);nonakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);pentakis(molybdenum(3+));tris(molybdenum(4+));octakis(oxygen(2-));dihexafluorophosphate
CID 139150536
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
N,N'-bis(4-methoxyphenyl)ethanediimidate;tris(dichloromethane);hexakis((4-methoxyphenyl)-[(4-methoxyphenyl)iminomethyl]azanide);bis(molybdenum(2+));bis(molybdenum(3+));dihexafluorophosphate
CID 139128978
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
2-(4-methoxyphenyl)iminoacetate
CID 22600240
N-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)iminoethyl]-2-pyridinyl]ethanimine
CID 102586041

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)?
The IUPAC name of cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide) (CID 50910504) is cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide).
What is the SMILES notation for cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)?
The canonical SMILES for cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide) is COc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.COc1ccc(/N=C/C=C[N-]c2ccc(OC)cc2)cc1.[Co+2].
What is the InChIKey of cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)?
The InChIKey is YBOOVFLIPSMVQH-SUQQYQJISA-N. The full InChI is InChI=1S/2C17H17N2O2.Co/c2*1-20-16-8-4-14(5-9-16)18-12-3-13-19-15-6-10-17(21-2)11-7-15;/h2*3-13H,1-2H3;/q2*-1;+2/b2*12-3?,19-13+;.
What are the key properties of cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)?
cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide) has a molecular weight of 621.60 g/mol, XLogP of 9.25, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide) is sourced from PubChem (CID 50910504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).