[2,6-Bis(1-methylethyl)benzenaminato(2-)](2,5-dimethyl-1H-pyrrol-1-yl)(4',6'-diphenyl[1,1':3',1''-terphenyl]-2'-olato)(2-methyl-2-phenylpropylidene) molybdenum(VI)

Catalog Number	ACM1572180698
CAS	1572180-69-8
Synonyms	2,5-Dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2,3,5,6-tetraphenylphenol
Molecular Weight	896
Molecular Formula	C58H58MoN2O
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=CC(=C(C(=C2C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5
InChI	InChI=1S/C30H22O.C12H17N.C10H12.C6H8N.Mo/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;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;/h1-21,31H;5-9H,1-4H3;1,4-8H,2-3H3;3-4H,1-2H3;/q;-1;
InChI Key	WDEQJSQFOMLLKG-UHFFFAOYSA-N
Appearance	Orange powder
Complexity	1220
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	897.368143
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	897.368143
Rotatable Bond Count	9
Topological Polar Surface Area	33.6 Ų