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13175-09-2 | Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2,4,5,6-tetraphenyl-
CAS No: 13175-09-2 Catalog No: AG000ZP4 MDL No:
Product Description
Catalog Number:
AG000ZP4
Chemical Name:
Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2,4,5,6-tetraphenyl-
CAS Number:
13175-09-2
Molecular Formula:
C30H24N2O2
Molecular Weight:
444.5238
IUPAC Name:
1,2,3,5-tetraphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
InChI:
InChI=1S/C30H24N2O2/c33-29-25-26(30(34)32(29)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)31(23-17-9-3-10-18-23)27(25)21-13-5-1-6-14-21/h1-20,25-28H
InChI Key:
ZVHRVPRHMLWDIV-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=O)C2C1C(c1ccccc1)N(C2c1ccccc1)c1ccccc1
NSC Number:
103867
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.184g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.534g/mol
Monoisotopic Mass:
444.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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