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157585-49-4 | Methanone, 2,6-naphthalenediylbis[(2,6-dimethyl-1-naphthalenyl)- (9CI)
CAS No: 157585-49-4 Catalog No: AG001PJ4 MDL No:
Product Description
Catalog Number:
AG001PJ4
Chemical Name:
Methanone, 2,6-naphthalenediylbis[(2,6-dimethyl-1-naphthalenyl)- (9CI)
CAS Number:
157585-49-4
Molecular Formula:
C36H28O2
Molecular Weight:
492.6063
IUPAC Name:
[6-(2,6-dimethylnaphthalene-1-carbonyl)naphthalen-2-yl]-(2,6-dimethylnaphthalen-1-yl)methanone
InChI:
InChI=1S/C36H28O2/c1-21-5-15-31-27(17-21)9-7-23(3)33(31)35(37)29-13-11-26-20-30(14-12-25(26)19-29)36(38)34-24(4)8-10-28-18-22(2)6-16-32(28)34/h5-20H,1-4H3
InChI Key:
JWNNRHQJCSQBPN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(c2C(=O)c1ccc2c(c1)ccc(c2)C(=O)c1c(C)ccc2c1ccc(c2)C)C
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.209g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.618g/mol
Monoisotopic Mass:
492.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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