bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))

C46H44Br2Cu2N4 — CID 139118896

IUPACbis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))
SMILESCc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.Cc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.[Cu+].[Cu+]
InChIInChI=1S/2C23H22BrN2.2Cu/c2*1-15-7-5-8-16(2)21(15)25-23(19-11-13-20(24)14-12-19)26-22-17(3)9-6-10-18(22)4;;/h2*5-14H,1-4H3;;/q2*-1;2*+1
InChIKeyKOROCJKPZMMMHS-UHFFFAOYSA-N
MW939.79 g/mol
LogP14.93
Rot. Bonds6

About bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))

bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)) (PubChem CID 139118896) has the molecular formula C46H44Br2Cu2N4 and a molecular weight of 939.79 g/mol. Its IUPAC name is bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)).

Molecular Properties

Compound Namebis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))
PubChem CID139118896
Molecular FormulaC46H44Br2Cu2N4
Molecular Weight939.79 g/mol
Exact Mass936.05
IUPAC Namebis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))
SMILESCc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.Cc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.[Cu+].[Cu+]
InChIInChI=1S/2C23H22BrN2.2Cu/c2*1-15-7-5-8-16(2)21(15)25-23(19-11-13-20(24)14-12-19)26-22-17(3)9-6-10-18(22)4;;/h2*5-14H,1-4H3;;/q2*-1;2*+1
InChIKeyKOROCJKPZMMMHS-UHFFFAOYSA-N
XLogP14.93
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.79
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide
CID 102509791
N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
CID 139126708
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
N-[(E)-[(4-bromophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline;hydrochloride
CID 146061297
4-(2,6-dimethylphenyl)imino-2,2,5,5-tetramethylhexan-3-ol
CID 15323884
2-(2,6-dimethylphenyl)imino-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 10979726
[2-(dimethylamino)-2-(2,6-dimethylphenyl)iminoethyl]-(2,6-dimethylphenyl)azanide;tris(dimethylazanide);zirconium(4+)
CID 139100173

Frequently Asked Questions

What is the IUPAC name of bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))?
The IUPAC name of bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)) (CID 139118896) is bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)).
What is the SMILES notation for bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))?
The canonical SMILES for bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)) is Cc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.Cc1cccc(C)c1/N=C(/[N-]c1c(C)cccc1C)c1ccc(Br)cc1.[Cu+].[Cu+].
What is the InChIKey of bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))?
The InChIKey is KOROCJKPZMMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22BrN2.2Cu/c2*1-15-7-5-8-16(2)21(15)25-23(19-11-13-20(24)14-12-19)26-22-17(3)9-6-10-18(22)4;;/h2*5-14H,1-4H3;;/q2*-1;2*+1.
What are the key properties of bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+))?
bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)) has a molecular weight of 939.79 g/mol, XLogP of 14.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide);bis(copper(1+)) is sourced from PubChem (CID 139118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).