[2,6-Bis(1-methylethyl)benzenaminato(2-)](2,5-dimethyl-1H-pyrrol-1-yl)(2-methyl-2-phenylpropylidene)([1,1':3',1''-terphenyl]-2'-olato) molybdenum(VI)

Catalog Number	ACM1703808701
CAS	1703808-70-1
Synonyms	2,5-Dimethylpyrrol-1-ide;2,6-diphenylphenol;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
Molecular Weight	743.9
Molecular Formula	C46H51MoN2O
Canonical SMILES	CC1=CC=C([N-]1)C.CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=CC(C)(C)C2=CC=CC=C2.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O
InChI	InChI=1S/C18H14O.C12H17N.C10H12.C6H8N.Mo/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-5-3-4-6(2)7-5;/h1-13,19H;5-9H,1-4H3;1,4-8H,2-3H3;3-4H,1-2H3;/q;-1;
InChI Key	GVTKTBOZVMCGFG-UHFFFAOYSA-N
Appearance	Yellow powder
Complexity	934
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	745.305543
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	745.305543
Rotatable Bond Count	7
Topological Polar Surface Area	33.6 Ų