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698377-27-4 | Benzonitrile, 4-(di-1H-indol-3-ylmethyl)-
CAS No: 698377-27-4 Catalog No: AG006603 MDL No:
Product Description
Catalog Number:
AG006603
Chemical Name:
Benzonitrile, 4-(di-1H-indol-3-ylmethyl)-
CAS Number:
698377-27-4
Molecular Formula:
C24H17N3
Molecular Weight:
347.4119
IUPAC Name:
4-[bis(1H-indol-3-yl)methyl]benzonitrile
InChI:
InChI=1S/C24H17N3/c25-13-16-9-11-17(12-10-16)24(20-14-26-22-7-3-1-5-18(20)22)21-15-27-23-8-4-2-6-19(21)23/h1-12,14-15,24,26-27H
InChI Key:
OPSOCPWQAFNZGC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
525
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
Literature
| Title | Journal |
|---|---|
| 4-[Bis(1H-indol-3-yl)meth-yl]benzonitrile. | Acta crystallographica. Section E, Structure reports online 20110701 |
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