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108248-14-2 | Quinoline, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris-
CAS No: 108248-14-2 Catalog No: AG007D3E MDL No:
Product Description
Catalog Number:
AG007D3E
Chemical Name:
Quinoline, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris-
CAS Number:
108248-14-2
Molecular Formula:
C30H18N6
Molecular Weight:
462.5041
IUPAC Name:
2-[4,6-di(quinolin-2-yl)-1,3,5-triazin-2-yl]quinoline
InChI:
InChI=1S/C30H18N6/c1-4-10-22-19(7-1)13-16-25(31-22)28-34-29(26-17-14-20-8-2-5-11-23(20)32-26)36-30(35-28)27-18-15-21-9-3-6-12-24(21)33-27/h1-18H
InChI Key:
GCUCYKMDPCZMSH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)c1nc(nc(n1)c1ccc2c(n1)cccc2)c1ccc2c(n1)cccc2
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.159g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.516g/mol
Monoisotopic Mass:
462.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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