Chloro[1,3-bis(2,6-di-I-propylphenyl)imidazol-2-ylidene]copper(I)

C₂₇H₃₇ClCuN₂CAS 578743-87-0488.60 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₂₇H₃₇ClCuN₂
Molar mass: 488.60 g/mol
Exact mass: 487.1941 Da
logP: 8.78Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

578743-87-0

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]N(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.Cl[Cu+]

InChIKey

HKRINCVYMIAYBE-UHFFFAOYSA-M

InChI

InChI=1S/C27H37N2.ClH.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-21H,1-8H3;1H;/q-1;;+2/p-1

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Work with Chloro[1,3-bis(2,6-di-I-propylphenyl)imidazol-2-ylidene]copper(I)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(1-methylethyl)benzene25321-09-936 % similar Propofol2078-54-835 % similar Diisopropylaniline24544-04-535 % similar 2-Isopropylaniline643-28-734 % similar 4,5-Dihydro-1,3-bis(2,6-diisopropylphenyl)imidazolium tetrafluoroborate282109-83-533 % similar Bis(2,6-diisopropylphenyl)carbodiimide2162-74-533 % similar O-Cymene527-84-432 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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