9891477 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 61 17 8 7 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 1 1 1 -1 3 1 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 9 9 10 10 11 12 13 14 14 15 15 16 17 17 17 18 18 18 19 19 20 20 21 22 23 23 24 24 25 25 25 26 26 26 27 27 28 28 29 30 30 31 31 32 32 33 33 34 34 35 8 9 14 10 17 18 11 13 7 21 56 30 11 12 13 19 12 15 16 36 20 23 24 16 37 38 25 39 40 26 41 42 21 43 22 44 22 45 27 46 28 47 48 49 50 51 52 53 29 54 29 55 57 31 32 33 58 34 59 35 60 35 61 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 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 61 6.5734 0 7.8544 11.3846 7.8544 4.3243 3.4564 8.7205 6.9884 10.5205 8.7205 9.6144 6.9884 7.8544 10.5205 9.6144 12.2525 11.3807 6.0945 6.0945 5.1884 5.1884 8.7205 6.9884 13.1166 12.2448 8.7205 6.9884 7.8544 2.5923 1.7243 2.5961 0.8602 1.732 0.8641 9.6072 11.0562 9.6072 11.8558 12.6529 11.1664 10.7705 6.1016 6.1016 4.6527 9.2574 6.4515 13.4287 13.6523 12.8045 12.5569 12.7805 11.9327 9.2574 6.4515 4.3267 7.8544 1.7219 3.1343 0.3221 1.7344 0 6.7228 5.182 5.2062 3.182 5.2062 4.7095 4.682 4.682 4.7028 3.682 5.2167 3.682 6.182 3.6612 3.1474 4.7095 6.2062 5.2167 3.1474 4.7028 3.6612 6.682 6.682 5.2128 6.7095 7.682 7.682 8.182 5.2128 4.7162 6.2128 5.2195 6.7162 6.2195 5.8366 3.3491 2.5274 4.233 4.2361 6.7879 6.0961 5.8366 2.5274 3.3491 6.372 6.372 4.6771 5.5249 5.7486 6.1738 7.0216 7.2452 7.992 7.992 5.8262 8.802 4.0962 6.5208 4.9116 7.3362 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 8 8 9 9 10 10 11 13 14 14 15 19 20 21 23 24 27 28 8 9 11 13 11 12 13 19 12 15 16 20 23 24 16 21 22 22 27 28 29 29 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 779 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000400000000000000000000000000000000003C60C1020000000000B1FC00001E0018000000080CC1960432C0B36E1000A801A47244009284242112201898203874D80860E2C0D1D1942408609800C8C9871000000000008000040000200001000008000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]hydrazono]cyclohexa-2,5-dien-1-one;chloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenyl-2-phenazin-10-iumyl]hydrazinylidene]-1-cyclohexa-2,5-dienone;chloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]hydrazinylidene]cyclohexa-2,5-dien-1-one;chloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]hydrazinylidene]cyclohexa-2,5-dien-1-one;chloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]hydrazinylidene]cyclohexa-2,5-dien-1-one;chloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]hydrazono]cyclohexa-2,5-dien-1-one;chloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C28H25N5O.ClH/c1-3-32(4-2)23-13-17-26-28(19-23)33(22-8-6-5-7-9-22)27-18-21(12-16-25(27)29-26)31-30-20-10-14-24(34)15-11-20;/h5-19H,3-4H2,1-2H3;1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VJDDAARZIFHSQY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.1825882 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C28H26ClN5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 484.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)NN=C4C=CC(=O)C=C4)N=C2C=C1)C5=CC=CC=C5.[Cl-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)NN=C4C=CC(=O)C=C4)N=C2C=C1)C5=CC=CC=C5.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.1825882 35 0 0 0 0 0 0 0 2 -1