dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine

C35H31Cl2CoN3 — CID 142048555

IUPACdichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(C)cc3C)c3ccccc3)n2)c(C)c1.Cl[Co]Cl
InChIInChI=1S/C35H31N3.2ClH.Co/c1-24-18-20-30(26(3)22-24)37-34(28-12-7-5-8-13-28)32-16-11-17-33(36-32)35(29-14-9-6-10-15-29)38-31-21-19-25(2)23-27(31)4;;;/h5-23H,1-4H3;2*1H;/q;;;+2/p-2/b37-34+,38-35+;;;
InChIKeyGWADIIJUAVJKKV-ZMEIYLNSSA-L
MW623.49 g/mol
LogP10.03
Rot. Bonds6

About dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine

dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine (PubChem CID 142048555) has the molecular formula C35H31Cl2CoN3 and a molecular weight of 623.49 g/mol. Its IUPAC name is dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine.

Molecular Properties

Compound Namedichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
PubChem CID142048555
Molecular FormulaC35H31Cl2CoN3
Molecular Weight623.49 g/mol
Exact Mass622.12
IUPAC Namedichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
SMILESCc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(C)cc3C)c3ccccc3)n2)c(C)c1.Cl[Co]Cl
InChIInChI=1S/C35H31N3.2ClH.Co/c1-24-18-20-30(26(3)22-24)37-34(28-12-7-5-8-13-28)32-16-11-17-33(36-32)35(29-14-9-6-10-15-29)38-31-21-19-25(2)23-27(31)4;;;/h5-23H,1-4H3;2*1H;/q;;;+2/p-2/b37-34+,38-35+;;;
InChIKeyGWADIIJUAVJKKV-ZMEIYLNSSA-L
XLogP10.03
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.49
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(dichlorocobalt);1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-[4-[[[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]phenyl]-1-phenylmethanimine
CID 20750702
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;N-(2,4-dimethylphenyl)-1-[6-[N-(4-methoxy-2-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-4-nitrophenyl)ethanimine;N-(2-methyl-4-nitrophenyl)-1-[6-[N-(2-methyl-4-nitrophenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 158213071
4-[[[6-[N-(4-ethyl-2-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]-3-methylbenzonitrile
CID 145156122
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 162451109
cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
CID 173181729
dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048598
N-(2-chloro-6-methylphenyl)-1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451136
1-[6-[N-(2-chloro-6-ethyl-4-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-ethyl-4,6-dimethylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451110
N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
CID 42634362
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
1-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)ethanimine
CID 143659682

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The IUPAC name of dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine (CID 142048555) is dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine.
What is the SMILES notation for dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The canonical SMILES for dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine is Cc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(C)cc3C)c3ccccc3)n2)c(C)c1.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
The InChIKey is GWADIIJUAVJKKV-ZMEIYLNSSA-L. The full InChI is InChI=1S/C35H31N3.2ClH.Co/c1-24-18-20-30(26(3)22-24)37-34(28-12-7-5-8-13-28)32-16-11-17-33(36-32)35(29-14-9-6-10-15-29)38-31-21-19-25(2)23-27(31)4;;;/h5-23H,1-4H3;2*1H;/q;;;+2/p-2/b37-34+,38-35+;;;.
What are the key properties of dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine?
dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine has a molecular weight of 623.49 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine is sourced from PubChem (CID 142048555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).