65099 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 8 8 8 8 8 7 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 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 2 -1 3 -1 4 -1 7 1 8 1 9 1 10 1 1 2 3 4 5 6 7 7 7 8 8 8 11 11 11 12 12 13 13 14 14 15 15 16 16 17 18 19 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 29 30 30 30 31 31 32 32 33 33 34 34 35 36 37 38 9 9 10 10 9 10 17 19 29 18 20 30 12 13 15 14 16 17 21 18 22 19 23 20 24 25 26 27 28 31 39 32 40 33 41 34 42 35 43 36 44 37 45 38 46 47 48 49 50 51 52 35 53 36 54 37 55 38 56 57 58 59 60 1 1 1 1 2 2 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 2 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 6.1084 6.9744 0 0.866 7.8405 1.732 6.9744 6.9744 6.9744 0.866 6.9744 6.9744 7.8405 7.8405 6.1084 6.1084 7.8405 7.8405 6.1084 6.1084 8.7344 8.7344 5.2145 5.2145 8.7344 8.7344 5.2145 5.2145 6.9744 6.9744 9.6405 9.6405 4.3084 4.3084 9.6405 9.6405 4.3084 4.3084 8.7272 8.7272 5.2216 5.2216 8.7272 8.7272 5.2216 5.2216 6.3544 6.9744 7.5944 7.5944 6.9744 6.3544 10.1762 10.1762 3.7727 3.7727 10.1762 10.1762 3.7727 3.7727 1.5 0 6.6403 5.1403 1.5 6.6403 5.1606 10.1606 1 6.1403 7.1606 8.1606 6.6606 8.6606 6.6606 8.6606 5.6606 9.6606 5.6606 9.6606 7.1953 8.126 7.1953 8.126 5.1259 10.1953 5.1259 10.1953 4.1606 11.1606 6.6814 8.6398 6.6814 8.6398 5.6398 9.6814 5.6398 9.6814 7.8152 7.506 7.8152 7.506 4.506 10.8152 4.506 10.8152 4.1606 3.5406 4.1606 11.1606 11.7806 11.1606 6.9935 8.3277 6.9935 8.3277 5.3277 9.9935 5.3277 9.9935 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 7 7 8 8 11 11 12 12 13 13 14 14 15 15 16 16 17 18 19 20 21 22 23 24 25 26 27 28 31 32 33 34 17 19 18 20 13 15 14 16 17 21 18 22 19 23 20 24 25 26 27 28 31 32 33 34 35 36 37 38 35 36 37 38 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 522 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8000000000000000000000000000000000000003C78C1820000000000B1FE00001C00040000000C08811E0432C0F30C5000A1032462450082802021022008D8203864980820E2C09191842008608000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methyl-9-acridin-10-iumyl)acridin-10-ium;dinitrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KNJDBYZZKAZQNG-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 510.15393443 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C28H22N4O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 510.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 134 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 510.15393443 38 0 0 0 0 0 0 0 3 -1