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113385-74-3 | Pyrazine, 1,4-dihydro-1,4-bis(4-methylphenyl)-2,6-diphenyl-
CAS No: 113385-74-3 Catalog No: AG0008CV MDL No:
Product Description
Catalog Number:
AG0008CV
Chemical Name:
Pyrazine, 1,4-dihydro-1,4-bis(4-methylphenyl)-2,6-diphenyl-
CAS Number:
113385-74-3
Molecular Formula:
C30H26N2
Molecular Weight:
414.5408
IUPAC Name:
1,4-bis(4-methylphenyl)-2,6-diphenylpyrazine
InChI:
InChI=1S/C30H26N2/c1-23-13-17-27(18-14-23)31-21-29(25-9-5-3-6-10-25)32(28-19-15-24(2)16-20-28)30(22-31)26-11-7-4-8-12-26/h3-22H,1-2H3
InChI Key:
WTYGYEHVWPQDKR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(c2ccccc2)n(c(c1)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.21g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.552g/mol
Monoisotopic Mass:
414.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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