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650606-93-2 | Pyrimidine, 2,4,6-tris[2,3,5,6-tetramethyl-4-(2-pyridinyl)phenyl]-
CAS No: 650606-93-2 Catalog No: AG00H5WL MDL No:
Product Description
Catalog Number:
AG00H5WL
Chemical Name:
Pyrimidine, 2,4,6-tris[2,3,5,6-tetramethyl-4-(2-pyridinyl)phenyl]-
CAS Number:
650606-93-2
Molecular Formula:
C49H49N5
Molecular Weight:
707.9469
IUPAC Name:
2,4,6-tris(2,3,5,6-tetramethyl-4-pyridin-2-ylphenyl)pyrimidine
InChI:
InChI=1S/C49H49N5/c1-26-30(5)46(31(6)27(2)43(26)38-19-13-16-22-50-38)41-25-42(47-32(7)28(3)44(29(4)33(47)8)39-20-14-17-23-51-39)54-49(53-41)48-36(11)34(9)45(35(10)37(48)12)40-21-15-18-24-52-40/h13-25H,1-12H3
InChI Key:
DRAYBLORAISZIV-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(c2cc(nc(n2)c2c(C)c(C)c(c(c2C)C)c2ccccn2)c2c(C)c(C)c(c(c2C)C)c2ccccn2)c(c(c1c1ccccn1)C)C
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
707.399g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
707.966g/mol
Monoisotopic Mass:
707.399g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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