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4-[4-[8-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Formula:C42H28N4O3 Mutagenic:low Tumorigenic:none Reproductive Effective:high 4-[4-[8-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one is not a drug-like molecule.
MolName4-[4-[8-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC42H28N4O3
SmilesO=C(C=C1)C=CC1=C1NC(c(cc2)cc3c2oc(cc2)c3cc2C(N2)=C(c3ccccc3)NC2=C(C=C2)C=CC2=O)=C(c2ccccc2)N1
InChIInChI=1S/C42H28N4O3/c47-31-17-11-27(12-18-31)41-43-37(25-7-3-1-4-8-25)39(45-41)29-15-21-35-33(23-29)34-24-30(16-22-36(34)49-35)40-38(26-9-5-2-6-10-26)44-42(46-40)28-13-19-32(48)20-14-28/h1-24,43-46H
InChIKPFHITQBAAOIISW-UHFFFAOYSA-N
TotalMolweight636.709
Molweight636.709
MonoisotopicMass636.216141
CLogP8.3449
CLogS-11.356
H Acceptors7
H Donors4
TotalSurfaceArea476.69
Relative PSA0.18047
PolarSurfaceArea95.4
Druglikeness-3.9361
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44898
Fragments1
Non HAtoms49
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures9
Small Rings9
Aromatic Rings5
Aromatic Atoms25
Symmetricatoms28
BasicNitrogens4
StereoCon

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