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129352-68-7 | 1(2H)-Phthalazinone, 4-(4-chloro-3-methylphenyl)-5,6,7,8-tetraphenyl-
CAS No: 129352-68-7 Catalog No: AG000Z2U MDL No:
Product Description
Catalog Number:
AG000Z2U
Chemical Name:
1(2H)-Phthalazinone, 4-(4-chloro-3-methylphenyl)-5,6,7,8-tetraphenyl-
CAS Number:
129352-68-7
Molecular Formula:
C39H27ClN2O
Molecular Weight:
575.0975
IUPAC Name:
4-(4-chloro-3-methylphenyl)-5,6,7,8-tetraphenyl-2H-phthalazin-1-one
InChI:
InChI=1S/C39H27ClN2O/c1-25-24-30(22-23-31(25)40)38-36-34(28-18-10-4-11-19-28)32(26-14-6-2-7-15-26)33(27-16-8-3-9-17-27)35(29-20-12-5-13-21-29)37(36)39(43)42-41-38/h2-24H,1H3,(H,42,43)
InChI Key:
QLQZRURLMUXITL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1C)c1n[nH]c(=O)c2c1c(c1ccccc1)c(c1ccccc1)c(c2c1ccccc1)c1ccccc1
Properties
Complexity:
956
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.181g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
575.108g/mol
Monoisotopic Mass:
574.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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