44142657 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 16 16 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 2 2 3 3 3 4 4 4 5 5 5 6 7 7 8 9 9 10 10 11 11 12 12 13 14 15 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 24 25 25 26 26 27 28 29 13 28 23 27 6 8 15 18 29 42 6 7 9 11 8 13 12 10 30 14 16 14 31 21 23 22 32 33 34 35 17 19 18 36 20 24 37 24 25 27 38 26 39 40 41 29 43 28 44 45 46 47 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 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 8.5304 11.9286 8.8062 2.5836 7.86 7.86 8.8062 9.3898 6.9939 6.1279 6.9939 10.3898 9.1168 6.1279 9.1168 5.2619 4.3958 3.5298 5.2619 3.5298 10.9776 10.0684 10.9776 4.3958 2.5836 10.0702 11.9286 9.1196 2 6.9939 6.9939 5.591 8.5275 9.3094 9.7062 4.3958 5.7988 10.786 10.5694 10.786 4.3958 2.391 2.391 10.5724 12.4302 8.9291 1.38 1.7563 -1.309 -1.6138 -0.1137 -0.309 -1.309 -0.0043 -0.809 0.191 -0.309 -1.809 -0.809 0.9462 -1.309 -2.5643 0.191 -0.309 0.191 1.191 1.191 0 1.2536 -1.618 1.691 1.4957 2.2536 -0.309 2.5643 0.691 0.811 -2.429 -1.619 -2.7569 -3.1536 -2.3717 -0.929 1.501 0.5897 0.8883 -2.2077 2.311 -0.7031 2.085 2.6172 0.0554 3.1543 0.691 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 2 3 3 4 4 5 5 5 6 7 9 10 11 12 12 13 16 16 17 18 19 20 20 21 22 25 26 13 28 23 27 6 8 18 29 6 7 9 11 8 10 14 14 21 23 22 17 19 18 20 24 24 25 27 26 29 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 585 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B0000600000000000000000000000000162C4890030600000000000005801FE00001C04100000000C08C55E04BEC1F3CD9008A403346744008380A0310A3048D9B83864980820E2E09191842008609000E8C8071080C00EC8000240000200009000048000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1H-indol-6-yl)-1-methyl-3-(2-thienyl)-2-(3-thienyl)indole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1H-indol-6-yl)-1-methyl-3-thiophen-2-yl-2-(3-thiophenyl)indole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1<I>H</I>-indol-6-yl)-1-methyl-3-thiophen-2-yl-2-thiophen-3-ylindole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1H-indol-6-yl)-1-methyl-3-thiophen-2-yl-2-thiophen-3-ylindole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1H-indol-6-yl)-1-methyl-3-thiophen-2-yl-2-thiophen-3-yl-indole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(1H-indol-6-yl)-1-methyl-3-(2-thienyl)-2-(3-thienyl)indole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H18N2S2/c1-27-22-7-6-17(18-5-4-16-8-10-26-21(16)14-18)13-20(22)24(23-3-2-11-29-23)25(27)19-9-12-28-15-19/h2-15,26H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GHXNOUOTEAMJHT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 6.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.09114093 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H18N2S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)C=CN4)C(=C1C5=CSC=C5)C6=CC=CS6 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)C=CN4)C(=C1C5=CSC=C5)C6=CC=CS6 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 77.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.09114093 29 0 0 0 0 0 0 0 1 -1