6102075 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 62 63 64 65 66 67 68 69 70 71 46 17 17 15 15 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 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 1 1 1 1 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 37 38 39 40 41 2 3 6 7 8 9 10 11 12 18 13 19 14 20 15 21 16 22 17 23 24 42 25 43 26 44 27 45 28 46 29 47 30 48 31 49 32 50 33 51 34 52 35 53 36 54 37 55 38 56 39 57 40 58 41 59 36 60 37 61 38 62 39 63 40 64 41 65 66 67 68 69 70 71 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 62 63 64 65 66 67 68 69 70 71 0.866 1.732 0 6.8671 6.8671 6.8671 7.7331 6.001 6.8671 7.7331 6.001 7.7331 7.7331 6.001 7.7331 7.7331 5.135 6.001 8.5991 5.135 6.001 8.5991 6.001 7.7331 8.5991 5.135 7.7331 8.5991 4.269 6.001 9.4651 4.269 6.001 9.4651 5.135 6.8671 9.4651 4.269 6.8671 9.4651 4.269 8.27 7.1962 6.538 8.27 7.1962 5.135 5.4641 8.5991 5.135 5.4641 8.5991 6.538 8.27 8.5991 5.135 8.27 8.5991 3.732 5.4641 10.0021 3.732 5.4641 10.0021 5.135 6.8671 10.0021 3.732 6.8671 10.0021 3.732 6.99 7.49 7.49 3.62 11.86 2.62 4.12 4.12 10.86 12.36 12.36 2.12 5.12 5.12 10.36 13.36 11.86 2.12 3.62 3.62 10.36 11.86 13.36 1.12 5.62 5.62 9.36 13.86 12.36 1.12 4.12 4.12 9.36 12.36 13.86 0.62 5.12 5.12 8.86 13.36 13.36 2.43 5.43 5.43 10.67 13.67 11.24 2.43 3 3 10.67 11.24 13.67 0.81 6.24 6.24 9.05 14.48 12.05 0.81 3.81 3.81 9.05 12.05 14.48 0 5.43 5.43 8.24 13.67 13.67 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 8 8 8 8 6 6 7 7 8 8 9 9 10 10 11 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 12 18 13 19 14 20 15 21 16 22 17 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 36 37 38 39 40 41 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 204 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07C00030600000000080000000000000000000000003060C18300000000000154000018080000000008008010003000800000208000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloropalladium;triphenylphosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloropalladium;triphenylphosphine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloropalladium;triphenylphosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloropalladium;triphenylphosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(chloranyl)palladium;triphenylphosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloropalladium;triphenylphosphine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YNHIGQDRGKUECZ-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 700.02346 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C36H30Cl2P2Pd Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 701.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 700.02346 41 0 0 0 0 0 0 0 3 -1