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113933-91-8 | 9H-Fluoren-9-one, 2,7-bis(diphenylamino)-
CAS No: 113933-91-8 Catalog No: AG000A3Z MDL No:
Product Description
Catalog Number:
AG000A3Z
Chemical Name:
9H-Fluoren-9-one, 2,7-bis(diphenylamino)-
CAS Number:
113933-91-8
Molecular Formula:
C37H26N2O
Molecular Weight:
514.6151
IUPAC Name:
2,7-bis(N-phenylanilino)fluoren-9-one
InChI:
InChI=1S/C37H26N2O/c40-37-35-25-31(38(27-13-5-1-6-14-27)28-15-7-2-8-16-28)21-23-33(35)34-24-22-32(26-36(34)37)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H
InChI Key:
YKBQFVANWYSUBE-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2c2c1cc(cc2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.205g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.628g/mol
Monoisotopic Mass:
514.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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