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4-[1-[(5Z)-5-[(4-cyanophenyl)-[5-[(Z)-(4-cyanophenyl)-[(5Z)-5-[(4-cyanophenyl)-(2H-pyrrol-5-yl)methylidene]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]benzonitrile

Formula:C49H30N8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[1-[(5Z)-5-[(4-cyanophenyl)-[5-[(Z)-(4-cyanophenyl)-[(5Z)-5-[(4-cyanophenyl)-(2H-pyrrol-5-yl)methylidene]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]benzonitrile is not a drug-like molecule.
MolName4-[1-[(5Z)-5-[(4-cyanophenyl)-[5-[(Z)-(4-cyanophenyl)-[(5Z)-5-[(4-cyanophenyl)-(2H-pyrrol-5-yl)methylidene]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]benzonitrile
MolecularFormulaC49H30N8
SmilesC=C(C(C=C1)=N/C1=C(\c1ccc(/C(/c(cc2)ccc2C#N)=C(/C=C2)\N/C2=C(\C2=NCC=C2)/c(cc2)ccc2C#N)[nH]1)/c(cc1)ccc1C#N)c(cc1)ccc1C#N
InChIInChI=1S/C49H30N8/c1-31(36-12-4-32(27-50)5-13-36)40-20-21-43(55-40)48(38-16-8-34(29-52)9-17-38)44-24-25-46(57-44)49(39-18-10-35(30-53)11-19-39)45-23-22-42(56-45)47(41-3-2-26-54-41)37-14-6-33(28-51)7-15-37/h2-25,56-57H,1,26H2
InChIKHHYRISXTFODFKE-UHFFFAOYSA-N
TotalMolweight730.833
Molweight730.833
MonoisotopicMass730.259342
CLogP5.5425
CLogS-11.67
H Acceptors8
H Donors2
TotalSurfaceArea590.38
Relative PSA0.17397
PolarSurfaceArea147.7
Druglikeness-4.8322
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.4386
Fragments1
Non HAtoms57
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms1
Symmetricatoms8
Aromatic Nitrogens1
BasicNitrogens2
StereoCon

Request More Details | 4-[1-[(5Z)-5-[(4-cyanophenyl)-[5-[(Z)-(4-cyanophenyl)-[(5Z)-5-[(4-cyanophenyl)-(2H-pyrrol-5-yl)methylidene]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]benzonitrile


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