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

Formula:C36H26N4O2 Mutagenic:low Tumorigenic:none Reproductive Effective:low 4-[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]phenyl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one is not a drug-like molecule.
MolName4-[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]phenyl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC36H26N4O2
SmilesO=C(C=C1)C=CC1=C1NC(c(cc2)ccc2C(N2)=C(c3ccccc3)NC2=C(C=C2)C=CC2=O)=C(c2ccccc2)N1
InChIInChI=1S/C36H26N4O2/c41-29-19-15-27(16-20-29)35-37-31(23-7-3-1-4-8-23)33(39-35)25-11-13-26(14-12-25)34-32(24-9-5-2-6-10-24)38-36(40-34)28-17-21-30(42)22-18-28/h1-22,37-40H
InChIKUUXQKHZUUTYDHP-UHFFFAOYSA-N
TotalMolweight546.628
Molweight546.628
MonoisotopicMass546.205576
CLogP6.5764
CLogS-8.696
H Acceptors6
H Donors4
TotalSurfaceArea417.8
Relative PSA0.17214
PolarSurfaceArea82.26
Druglikeness-3.893
Mutageniclow
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.47619
Fragments1
Non HAtoms42
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms26
BasicNitrogens4
StereoCon

Request More Details | 4-[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-phenyl-1,3-dihydroimidazol-4-yl]phenyl]-5-phenyl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one


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