54705891 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 27 8 39 7 5 7 10 6 7 8 9 11 12 28 29 9 30 13 14 15 16 17 18 19 31 20 32 21 33 22 34 23 35 24 36 25 37 25 38 26 40 26 41 27 42 27 43 44 45 46 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 5.4641 7.1962 5.4641 6.3301 4.5981 7.1962 6.3301 5.4641 4.5981 5.4641 3.732 7.1962 6.3301 4.5981 2.866 3.732 6.3301 8.0622 6.3301 4.5981 2 2.866 6.3301 8.0622 5.4641 2 7.1962 7.4082 7.8067 4.0611 6.8671 4.0611 2.866 4.269 5.7932 8.5991 6.8671 4.0611 4.9272 1.4631 2.866 5.7932 8.5991 5.4641 1.4631 7.1962 2 -1 -1 0.5 -0.5 1 -0.5 1 0.5 -2 -1 2 -2.5 -2.5 -0.5 -2 2.5 2.5 -3.5 -3.5 -1 -2.5 3.5 3.5 -4 -2 4 0.4174 1.1077 0.81 -2.19 -2.19 0.12 -2.31 2.19 2.19 -3.81 -3.81 2.31 -0.69 -3.12 3.81 3.81 -4.62 -2.31 4.62 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 8 10 10 11 11 12 12 13 14 15 16 17 18 19 20 21 22 23 24 5 7 7 8 9 9 13 14 15 16 17 18 19 20 21 22 23 24 25 25 26 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 588 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000000000000003060C1000000000000015000001E00000800000C0C81980030C0830002008802255250008200002122000888010064C8082432C09191843008608400C8D9071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-benzyl-4-hydroxy-1,6-diphenyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1,6-diphenyl-3-(phenylmethyl)-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-benzyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-benzyl-4-hydroxy-1,6-diphenylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-oxidanyl-1,6-diphenyl-3-(phenylmethyl)pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-benzyl-4-hydroxy-1,6-diphenyl-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H19NO2/c26-23-17-22(19-12-6-2-7-13-19)25(20-14-8-3-9-15-20)24(27)21(23)16-18-10-4-1-5-11-18/h1-15,17,26H,16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RUDYHTIILOSLMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.141578849 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H19NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC2=C(C=C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC2=C(C=C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.141578849 27 0 0 0 0 0 0 0 1 -1