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Home > Indoles and Oxindole > 827347-65-9
827347-65-9 | 1H-1,5-Benzodiazepine, 2-(4-methylphenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS No: 827347-65-9 Catalog No: AG004ZPB MDL No:
Product Description
Catalog Number:
AG004ZPB
Chemical Name:
1H-1,5-Benzodiazepine, 2-(4-methylphenyl)-4-(2-phenyl-1H-indol-3-yl)-
CAS Number:
827347-65-9
Molecular Formula:
C30H23N3
Molecular Weight:
425.5237
IUPAC Name:
4-(4-methylphenyl)-2-(2-phenyl-1H-indol-3-yl)-1H-1,5-benzodiazepine
InChI:
InChI=1S/C30H23N3/c1-20-15-17-21(18-16-20)27-19-28(32-26-14-8-7-13-25(26)31-27)29-23-11-5-6-12-24(23)33-30(29)22-9-3-2-4-10-22/h2-19,32-33H,1H3
InChI Key:
UMDXPRKJSJNQJS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CC(=Nc2c(N1)cccc2)c1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.535g/mol
Monoisotopic Mass:
425.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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