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

C60H48Cl4Co2N6 — CID 20750702

IUPACbis(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
SMILESCc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(/N=C(\c4ccccc4)c4cccc(/C(=N/c5ccc(C)cc5C)c5ccccc5)n4)cc3)c3ccccc3)n2)c(C)c1.Cl[Co]Cl.Cl[Co]Cl
InChIInChI=1S/C60H48N6.4ClH.2Co/c1-41-31-37-51(43(3)39-41)65-59(47-23-13-7-14-24-47)55-29-17-27-53(63-55)57(45-19-9-5-10-20-45)61-49-33-35-50(36-34-49)62-58(46-21-11-6-12-22-46)54-28-18-30-56(64-54)60(48-25-15-8-16-26-48)66-52-38-32-42(2)40-44(52)4;;;;;;/h5-40H,1-4H3;4*1H;;/q;;;;;2*+2/p-4/b61-57+,62-58+,65-59+,66-60+;;;;;;
InChIKeyILOPNPNBLMGJKN-VOERUVBKSA-J
MW1112.76 g/mol
LogP17.14
Rot. Bonds12

About 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

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 (PubChem CID 20750702) has the molecular formula C60H48Cl4Co2N6 and a molecular weight of 1112.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID20750702
Molecular FormulaC60H48Cl4Co2N6
Molecular Weight1112.76 g/mol
Exact Mass1110.14
IUPAC Namebis(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
SMILESCc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(/N=C(\c4ccccc4)c4cccc(/C(=N/c5ccc(C)cc5C)c5ccccc5)n4)cc3)c3ccccc3)n2)c(C)c1.Cl[Co]Cl.Cl[Co]Cl
InChIInChI=1S/C60H48N6.4ClH.2Co/c1-41-31-37-51(43(3)39-41)65-59(47-23-13-7-14-24-47)55-29-17-27-53(63-55)57(45-19-9-5-10-20-45)61-49-33-35-50(36-34-49)62-58(46-21-11-6-12-22-46)54-28-18-30-56(64-54)60(48-25-15-8-16-26-48)66-52-38-32-42(2)40-44(52)4;;;;;;/h5-40H,1-4H3;4*1H;;/q;;;;;2*+2/p-4/b61-57+,62-58+,65-59+,66-60+;;;;;;
InChIKeyILOPNPNBLMGJKN-VOERUVBKSA-J
XLogP17.14
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.76
LogP ≤ 517.14
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

dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 162451109
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
cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
CID 173181729
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
dichlorocobalt;N-(2-ethylphenyl)-1-[6-[(2-ethylphenyl)iminomethyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048598
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
CID 42634362
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-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine
CID 16638355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(/N=C(\c4ccccc4)c4cccc(/C(=N/c5ccc(C)cc5C)c5ccccc5)n4)cc3)c3ccccc3)n2)c(C)c1.Cl[Co]Cl.Cl[Co]Cl.
What is the InChIKey of 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?
The InChIKey is ILOPNPNBLMGJKN-VOERUVBKSA-J. The full InChI is InChI=1S/C60H48N6.4ClH.2Co/c1-41-31-37-51(43(3)39-41)65-59(47-23-13-7-14-24-47)55-29-17-27-53(63-55)57(45-19-9-5-10-20-45)61-49-33-35-50(36-34-49)62-58(46-21-11-6-12-22-46)54-28-18-30-56(64-54)60(48-25-15-8-16-26-48)66-52-38-32-42(2)40-44(52)4;;;;;;/h5-40H,1-4H3;4*1H;;/q;;;;;2*+2/p-4/b61-57+,62-58+,65-59+,66-60+;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1112.76 g/mol, XLogP of 17.14, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20750702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).