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294636-40-1 | Benzonitrile, 3-(di-1H-indol-3-ylmethyl)-
CAS No: 294636-40-1 Catalog No: AG002YGE MDL No:
Product Description
Catalog Number:
AG002YGE
Chemical Name:
Benzonitrile, 3-(di-1H-indol-3-ylmethyl)-
CAS Number:
294636-40-1
Molecular Formula:
C24H17N3
Molecular Weight:
347.4119
IUPAC Name:
3-[bis(1H-indol-3-yl)methyl]benzonitrile
InChI:
InChI=1S/C24H17N3/c25-13-16-6-5-7-17(12-16)24(20-14-26-22-10-3-1-8-18(20)22)21-15-27-23-11-4-2-9-19(21)23/h1-12,14-15,24,26-27H
InChI Key:
ZZJUQIYMEWFFQF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.421g/mol
Monoisotopic Mass:
347.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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