76694099 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 37 37 37 37 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 2 1 3 1 4 1 13 -1 14 -1 17 -1 18 -1 5 5 6 6 7 7 8 9 9 10 10 11 11 12 13 14 15 15 16 16 7 17 8 18 8 9 10 11 13 12 14 12 19 20 15 16 17 21 18 22 1 2 1 2 1 2 2 1 1 1 1 2 1 1 2 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 3.7817 8.1663 2 6.4082 3.7702 5.5141 4.6641 5.5301 4.6641 6.3961 5.5301 6.3961 3.7702 7.3062 2.8641 7.3142 2.8641 6.4121 5.5301 6.9331 2.3284 7.8523 -2.8019 -0.2705 0.2568 2.8019 0.2673 1.2742 -0.2673 0.2327 -1.2673 -0.2673 -1.7673 -1.2673 -1.802 0.2395 -1.2881 1.2811 -0.2465 1.8019 -2.3873 -1.5773 -1.6002 1.589 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 9 9 10 10 11 13 14 15 16 7 17 8 18 8 9 10 11 13 12 14 12 15 16 17 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 304 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180730000000000000800000000000000000000000000304080000000000000810000001C00000000000C0881180030C082000000A0022462440082000020000008880010549808602280909180200060800008C8071080000E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H4N2.4Rb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h1-2,5-6H;;;;/q-4;4*+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JPNMHXRANHQMEF-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 517.6819979 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H4N2Rb4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 518.04 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC2=C(C3=C1[C-]=C[C-]=N3)N=[C-]C=[C-]2.[Rb+].[Rb+].[Rb+].[Rb+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC2=C(C3=C1[C-]=C[C-]=N3)N=[C-]C=[C-]2.[Rb+].[Rb+].[Rb+].[Rb+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 24.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 515.6846071 18 0 0 0 0 0 0 0 5 -1