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128318-54-7 | Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-dihydro-2,3,5,6-tetraphenyl-
CAS No: 128318-54-7 Catalog No: AG000XZE MDL No:
Product Description
Catalog Number:
AG000XZE
Chemical Name:
Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-dihydro-2,3,5,6-tetraphenyl-
CAS Number:
128318-54-7
Molecular Formula:
C30H20N2O2
Molecular Weight:
440.4920
IUPAC Name:
1,2,4,5-tetraphenylpyrrolo[3,4-c]pyrrole-3,6-dione
InChI:
InChI=1S/C30H20N2O2/c33-29-25-26(28(22-15-7-2-8-16-22)32(29)24-19-11-4-12-20-24)30(34)31(23-17-9-3-10-18-23)27(25)21-13-5-1-6-14-21/h1-20H
InChI Key:
QKFKNXHPCNWQDQ-UHFFFAOYSA-N
SMILES:
O=c1c2c(c3ccccc3)n(c(=O)c2c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.502g/mol
Monoisotopic Mass:
440.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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