68050 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 59 60 8 7 7 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 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 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 21 22 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 5 36 15 24 25 16 26 27 17 28 29 6 7 8 9 12 10 13 11 14 18 30 19 31 20 32 21 33 22 34 23 35 18 21 19 22 20 23 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 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 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 59 60 2.31 3.31 3.31 7.31 3.31 3.31 3.31 4.31 2.444 2.444 4.81 4.176 4.176 4.81 3.31 3.31 6.31 2.444 2.444 5.81 4.176 4.176 5.81 2.444 4.176 2.444 4.176 7.81 7.81 1.907 1.907 4.5 4.713 4.713 4.5 2 1.907 1.907 6.12 4.713 4.713 6.12 2.134 1.907 2.754 3.866 4.713 4.486 2.754 1.907 2.134 4.486 4.713 3.866 7.2731 8.12 8.3469 8.3469 8.12 7.2731 0 -4 4 0 0 -1 1 0 -1.5 1.5 -0.866 -1.5 1.5 0.866 -3 3 0 -2.5 2.5 -0.866 -2.5 2.5 0.866 -4.5 -4.5 4.5 4.5 -0.866 0.866 -1.19 1.19 -1.403 -1.19 1.19 1.403 0.5369 -2.81 2.81 -1.403 -2.81 2.81 1.403 -3.9631 -4.81 -5.0369 -5.0369 -4.81 -3.9631 5.0369 4.81 3.9631 3.9631 4.81 5.0369 -1.176 -1.403 -0.556 0.556 1.403 1.176 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 10 11 12 13 14 15 15 16 16 17 17 9 12 10 13 11 14 18 19 20 21 22 23 18 21 19 22 20 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 413 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003060C0000000000000015000001E00000800000C4C81980432C083000200800224424000820000210200088800086C88082622C0919184700864C00148D80790D0E30E88000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tris[4-(dimethylamino)phenyl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QFVDKARCPMTZCS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.246712621 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H31N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.246712621 29 0 0 0 0 0 0 0 1 -1