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trans-1,2-Diphenylethylene

PubChem CID: 638088

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Compound Synonyms trans-Stilbene, 103-30-0, (E)-Stilbene, STILBENE, TRANS-1,2-DIPHENYLETHYLENE, 1,2-Diphenylethylene, Bibenzal, (E)-1,2-Diphenylethene, Bibenzylidene, Bibenzylidine, Stilbene, (E)-, (E)-1,2-Diphenylethylene, Toluylene, trans-Diphenylethene, trans-1,2-Diphenylethene, alpha,beta-Diphenylethylene, 1,1'-(1,2-Ethenediyl)dibenzene, 588-59-0, Benzene, 1,1'-(1E)-1,2-ethenediylbis-, trans-alpha,beta-Diphenylethylene, 1,1'-(1,2-Ethenediyl)bisbenzene, CCRIS 5933, HSDB 5020, NSC 2069, EINECS 203-098-5, EINECS 209-621-3, Stilben, Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-, [(E)-2-Phenylethenyl]benzene, BRN 1616740, BRN 1904445, 3FA7NW80A0, (E)-1,1'-(1,2-Ethenediyl)bisbenzene, DTXSID4026050, CHEBI:36007, AI3-52677, NSC-2069, STILBENE, TRANS-, 1,2-Diphenylethene, MFCD00064300, STILBENE TRANS-FORM, 1,1'-(1,2-Ethenediyl)bis[benzene], 1,1'-(E)-ethene-1,2-diyldibenzene, W1WNW14Z2I, DTXCID106050, [(1E)-2-phenylethenyl]benzene, CHEBI:26775, STILBENE TRANS-FORM [MI], 1,1'-ethene-1,2-diyldibenzene, 4-05-00-02160 (Beilstein Handbook Reference), 1,1'-(ethene-1,2-diyl)dibenzene, 1,1'-[(1E)-ethene-1,2-diyl]dibenzene, TRANS-1,2-DIPHENYLETHYLENE [HSDB], Stilben [German], ((E)-2-phenylethenyl)benzene, Stilbenes, 1,1'-(1,2-ethenediyl)bis(benzene), 1,1'-((1E)-ethene-1,2-diyl)dibenzene, UNII-W1WNW14Z2I, DTXSID6060424, .alpha.,.beta.-Diphenylethylene, UNII-3FA7NW80A0, transStilbene, trans stilbene, E-stilbene, (E)Stilbene, transDiphenylethene, Stilbene, (E), TOLULYNE, TRANS-BIBENZAL, trans1,2Diphenylethene, E-1,2-diphenylethene, trans-Stilbene, 96%, Diphenylethylene, 1,2, (E)1,2Diphenylethylene, STILBENE [MI], alpha,betaDiphenylethylene, TRANS-BIBENZYLIDENE, 1,trans-2-Diphenylethene, 1,trans-2-Diphenylethylene, BIDD:ER0266, BIDD:ER0595, transalpha,betaDiphenylethylene, ghl.PD_Mitscher_leg0.1238, CHEMBL113028, 1,1'(1,2Ethenediyl)dibenzene, DTXCID8042478, Trans-1,2-Diphenylethene (1), 1,1'(1,2Ethenediyl)bisbenzene, NSC2069, BDBM175262, Benzene, 1,1'(1,2ethenediyl)bis, Tox21_202726, (E)1,1'(1,2Ethenediyl)bisbenzene, AKOS002312306, Benzene, 1,1'(1E)1,2ethenediylbis, trans-.alpha.,.beta.-Diphenylethylene, FS52484, NCGC00260274-01, AC-20799, CAS-103-30-0, DA-78578, LS-14271, TRANS-ALPHA, BETA-DIPHENYLETHYLENE, Benzene, 1,1'(1,2ethenediyl)bis, (E), Benzene,1'-(1,2-ethenediyl)bis-, (E)-, DB-002007, HY-128793, benzene, 1,1'-[(E)-1,2-ethenediyl]bis-, CS-0144621, NS00023216, S0090, D78253, EN300-100505, EN300-303343, Q306338, TRANS-1,1'-(1,2-ETHENDIYL)-BIS(BENZENE), Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-(9CI), 203-098-5, 209-621-3, InChI=1/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CCC2CCCCC2)CC1
Np Classifier Class Chalcones, Monomeric stilbenes
Deep Smiles cccccc6))/C=C/cccccc6
Heavy Atom Count 14.0
Classyfire Class Stilbenes
Scaffold Graph Node Level C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count 0.0
Molecular Complexity 148.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., Q64669, P10275, Q16236
Iupac Name (E)-stilbene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 4.8
Gsk 4 400 Rule True
Molecular Formula C14H12
Scaffold Graph Node Bond Level C(=Cc1ccccc1)c1ccccc1
Prediction Swissadme 0.0
Inchi Key PJANXHGTPQOBST-VAWYXSNFSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0
Logs -4.453
Rotatable Bond Count 2.0
Logd 3.958
Synonyms stilbene, stilbenes, trans-stilbene
Esol Class Moderately soluble
Functional Groups c/C=C/c
Compound Name trans-1,2-Diphenylethylene
Prediction Hob Swissadme 0.0
Exact Mass 180.094
Formal Charge 0.0
Monoisotopic Mass 180.094
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 180.24
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
Esol -4.490135714285714
Inchi InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
Smiles C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Stilbenoids, Flavonoids

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