69783 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 47 48 49 50 51 52 53 54 55 56 57 58 6 6 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 31 32 33 34 2 3 7 4 8 5 9 6 10 6 11 12 15 17 16 18 19 21 20 22 13 35 14 36 14 37 38 23 39 24 40 25 41 26 42 27 43 28 44 29 45 30 46 31 47 32 48 31 49 32 50 33 51 34 52 33 53 34 54 55 56 57 58 1 2 1 2 1 1 1 1 1 1 2 2 2 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 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 47 48 49 50 51 52 53 54 55 56 57 58 4.5981 4.5981 5.4641 5.4641 6.3301 6.3301 3.732 3.732 5.4641 5.4641 7.2241 7.2241 8.1301 8.1301 2.866 3.732 3.732 2.866 6.3301 4.5981 4.5981 6.3301 2 2.866 2.866 2 6.3301 4.5981 4.5981 6.3301 2 2 5.4641 5.4641 7.2169 7.2169 8.6659 8.6659 2.866 4.269 4.269 2.866 6.8671 4.0611 4.0611 6.8671 1.4631 2.866 2.866 1.4631 6.8671 4.0611 4.0611 6.8671 1.4631 1.4631 5.4641 5.4641 -0.5 0.5 -1 1 -0.5 0.5 -1 1 -2 2 -1.0347 1.0347 -0.5208 0.5208 -0.5 2 -2 0.5 -2.5 2.5 -2.5 2.5 -1 2.5 -2.5 1 -3.5 3.5 -3.5 3.5 -2 2 -4 4 -1.6546 1.6546 -0.8329 0.8329 0.12 2.31 -2.31 -0.12 -2.19 2.19 -2.19 2.19 -0.69 3.12 -3.12 0.69 -3.81 3.81 -3.81 3.81 -2.31 2.31 -4.62 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 8 8 8 8 8 8 8 8 8 8 8 1 1 2 3 4 5 5 6 7 7 8 8 9 9 10 10 11 12 13 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 2 3 4 5 6 6 11 12 15 17 16 18 19 21 20 22 13 14 14 23 24 25 26 27 28 29 30 31 32 31 32 33 34 33 34 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371E07C00000000000000000000000000000000000000003060C1830000000000C15400001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4-tetraphenylnaphthalene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C34H24/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26)34(28-21-11-4-12-22-28)33(31)27-19-9-3-10-20-27/h1-24H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UCTTYTFENYGAPP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 9.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 432.187800766 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C34H24 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 432.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 432.187800766 34 0 0 0 0 0 0 0 1 -1