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Home > Indoles and Oxindole > 89718-68-3
89718-68-3 | 1H-Benz[g]indole, 1-benzoyl-2,3,4,5-tetrahydro-3-phenyl-
CAS No: 89718-68-3 Catalog No: AG0042KQ MDL No:
Product Description
Catalog Number:
AG0042KQ
Chemical Name:
1H-Benz[g]indole, 1-benzoyl-2,3,4,5-tetrahydro-3-phenyl-
CAS Number:
89718-68-3
Molecular Formula:
C25H21NO
Molecular Weight:
351.4403
IUPAC Name:
phenyl-(3-phenyl-2,3,4,5-tetrahydrobenzo[g]indol-1-yl)methanone
InChI:
InChI=1S/C25H21NO/c27-25(20-12-5-2-6-13-20)26-17-23(18-9-3-1-4-10-18)22-16-15-19-11-7-8-14-21(19)24(22)26/h1-14,23H,15-17H2
InChI Key:
CEWZXGFLERWFOU-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C2=C1c1ccccc1CC2)c1ccccc1)c1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.449g/mol
Monoisotopic Mass:
351.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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