76840387 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 78 35 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24 -1 2 3 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 12 12 13 13 14 14 15 15 16 17 18 18 18 19 20 20 21 21 22 23 23 24 25 25 26 26 27 28 22 6 16 7 17 19 28 7 8 9 10 12 11 13 11 29 30 14 31 15 32 16 33 17 34 35 36 19 20 24 21 22 37 23 38 25 26 39 27 27 40 28 41 42 43 1 1 2 1 2 1 2 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 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 8.8658 7.5517 1.4418 3.1857 8.4177 2.3358 3.2018 2.3358 4.0678 3.2018 4.0678 1.4418 4.9778 0.5357 4.9858 0.5357 4.0838 9.2838 9.2838 8.4177 10.1498 8.4177 10.1498 10.1498 9.2838 9.2838 10.1498 8.4177 3.2018 4.6047 1.449 5.5111 0 5.524 0 4.0814 7.8808 10.6867 10.6867 9.2838 9.2838 10.6867 7.8808 0 3.1547 4.6547 5.6615 6.6547 4.12 4.62 3.12 4.12 2.62 3.12 2.5854 4.6269 3.0992 5.6685 4.1408 6.1893 5.1547 6.1547 4.6547 6.6547 3.6547 7.6547 4.6547 3.1547 8.1547 3.6547 7.6547 2 2.81 1.9654 4.3107 2.7872 5.9764 4.4529 6.8093 4.9647 6.3447 7.9647 2.5347 8.7747 3.3447 7.9647 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 3 3 4 4 5 5 6 6 7 8 8 9 9 10 12 13 14 15 18 18 19 20 21 22 23 24 25 26 6 16 7 17 19 28 7 8 9 10 12 11 13 11 14 15 16 17 20 24 21 22 23 25 26 27 27 28 -1 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 458 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B00000010000000000004000000000000000000003C58B1020000000000B1FE00001C00400000018C08C11E043CC0F2081000A0033467440082802431122008D8203874980860E2C09191942008608000C8C8071080C00E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromo-1-benzene-6-idyl)pyridine;1,10-phenanthroline;platinum IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromanylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H8N2.C11H7BrN.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;/h1-8H;1-3,5-8H;/q;-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GCMBHUOFXIWWPG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 607.00973 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H15BrN3Pt- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 608.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=[C-]C=CC(=C2)Br.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Pt] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=[C-]C=CC(=C2)Br.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Pt] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 607.00973 28 0 0 0 0 0 0 0 3 -1