(E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile

Formula:C30H20N4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile is not a drug-like molecule.

MolName(E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile
MolecularFormulaC30H20N4
SmilesN#C/C(/c1nc(cccc2)c2[nH]1)=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C30H20N4/c31-20-22(30-32-26-16-8-9-17-27(26)33-30)19-25-24-15-7-10-18-28(24)34(23-13-5-2-6-14-23)29(25)21-11-3-1-4-12-21/h1-19H,(H,32,33)
InChIKGEEGZYSXKSJCDF-UHFFFAOYSA-N
TotalMolweight436.517
Molweight436.517
MonoisotopicMass436.168796
CLogP6.0737
CLogS-8.716
H Acceptors4
H Donors1
TotalSurfaceArea345.69
Relative PSA0.1313
PolarSurfaceArea57.4
Druglikeness-2.711
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41176
Fragments1
Non HAtoms34
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms30
Symmetricatoms4
Aromatic Nitrogens3
BasicNitrogens1
StereoCon

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