Synonyms
1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide
Molecular Weight
388.59
Molecular Formula
C27H36N2
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C;
InChI
VYCIHDBIKGRENI-UHFFFAOYSA-N
InChI Key
InChI=1S/C27H36N2/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/h9-16,18-21H,1-8H3
Boiling Point
464.8 °C at 760 mmHg
Melting Point
213-217 °C
Purity
98%
Appearance
Beige powder
Complexity
503
Covalently-Bonded Unit Count
1
Exact Mass
388.288g/mol
H-Bond Acceptor
1
Heavy Atom Count
29
Isomeric SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
Monoisotopic Mass
388.288g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
6.2A^2
