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T5322380 3-[3-[4,5-di(phenyl)-1H-imidazol-2-yl]indol-1-yl]propanenitri

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摘 要:T5322380 3-[3-[4,5-di(phenyl)-1H-imidazol-2-yl]indol-1-yl]propanenitrile,Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CC=C5,InChI: InChI=1/C26H20N4/c27-16-9-17-30-18-22(21-14-7-8-15-23(21)30)26-28-24(19-,10-3-1-4-11-19)25
[Synonyms]
T5322380
[Structure]
T5322380 3-[3-[4,5-di(phenyl)-1H-imidazol-2-yl]indol-1-yl]propanenitri

[ Properties Computed from Structure]
Molecular Weight388.4638 [g/mol]
Molecular FormulaC26H20N4
XLogP6.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass388.168797
MonoIsotopic Mass388.168797
Topological Polar Surface Area57.4
Heavy Atom Count30
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[3-[4,5-di(phenyl)-1H-imidazol-2-yl]indol-1-yl]propanenitrile
Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CN(C4=CC=CC=C43)CCC#N)C5=CC=CC=C5
InChI: InChI=1/C26H20N4/c27-16-9-17-30-18-22(21-14-7-8-15-23(21)30)26-28-24(19-
10-3-1-4-11-19)25(29-26)20-12-5-2-6-13-20/h1-8,10-15,18H,9,17H2,(H,28,
29)/f/h28H

 
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