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Home > Indoles and Oxindole > 827347-64-8
827347-64-8 | 1H-1,5-Benzodiazepine, 4-(5-methyl-2-phenyl-1H-indol-3-yl)-2-phenyl-
CAS No: 827347-64-8 Catalog No: AG004ZPC MDL No:
Product Description
Catalog Number:
AG004ZPC
Chemical Name:
1H-1,5-Benzodiazepine, 4-(5-methyl-2-phenyl-1H-indol-3-yl)-2-phenyl-
CAS Number:
827347-64-8
Molecular Formula:
C30H23N3
Molecular Weight:
425.5237
IUPAC Name:
2-(5-methyl-2-phenyl-1H-indol-3-yl)-4-phenyl-1H-1,5-benzodiazepine
InChI:
InChI=1S/C30H23N3/c1-20-16-17-24-23(18-20)29(30(33-24)22-12-6-3-7-13-22)28-19-27(21-10-4-2-5-11-21)31-25-14-8-9-15-26(25)32-28/h2-19,32-33H,1H3
InChI Key:
UUDZVUCYUFTCGN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C1=Nc3ccccc3NC(=C1)c1ccccc1)c([nH]2)c1ccccc1
Properties
Complexity:
729
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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