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831235-67-7 | Quinoline, 3,3',3''-(1,2,4-benzenetriyl)tris-
CAS No: 831235-67-7 Catalog No: AG00511W MDL No:
Product Description
Catalog Number:
AG00511W
Chemical Name:
Quinoline, 3,3',3''-(1,2,4-benzenetriyl)tris-
CAS Number:
831235-67-7
Molecular Formula:
C33H21N3
Molecular Weight:
459.5399
IUPAC Name:
3-[2,5-di(quinolin-3-yl)phenyl]quinoline
InChI:
InChI=1S/C33H21N3/c1-4-10-31-23(7-1)15-26(19-34-31)22-13-14-29(27-16-24-8-2-5-11-32(24)35-20-27)30(18-22)28-17-25-9-3-6-12-33(25)36-21-28/h1-21H
InChI Key:
LGKSEVOBJXUPJS-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc(cn2)c1cc(ccc1c1cnc2c(c1)cccc2)c1cnc2c(c1)cccc2
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.174g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.552g/mol
Monoisotopic Mass:
459.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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