C225H205B2BrCl3N15O4Pt — CID 159119392
N-(3-bromophenyl)-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-carbazol-9-id-1-yl-4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-chloro-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[4-(3,5-ditert-butylphenyl)-6-(9H-fluoren-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;9H-fluoren-1-ylboronic acid;N-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;platinum(2+) (PubChem CID 159119392) has the molecular formula C225H205B2BrCl3N15O4Pt and a molecular weight of 3586.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-carbazol-9-id-1-yl-4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-chloro-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[4-(3,5-ditert-butylphenyl)-6-(9H-fluoren-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;9H-fluoren-1-ylboronic acid;N-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;platinum(2+).
| Compound Name | N-(3-bromophenyl)-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-carbazol-9-id-1-yl-4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-chloro-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[4-(3,5-ditert-butylphenyl)-6-(9H-fluoren-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;9H-fluoren-1-ylboronic acid;N-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;platinum(2+) |
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| PubChem CID | 159119392 |
| Molecular Formula | C225H205B2BrCl3N15O4Pt |
| Molecular Weight | 3586.18 g/mol |
| Exact Mass | 3581.44 |
| IUPAC Name | N-(3-bromophenyl)-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-carbazol-9-id-1-yl-4-(3,5-ditert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[6-chloro-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;N-[3-[4-(3,5-ditert-butylphenyl)-6-(9H-fluoren-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine;2,6-dichloro-4-(3,5-ditert-butylphenyl)pyridine;9H-fluoren-1-ylboronic acid;N-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-amine;platinum(2+) |
| SMILES | Brc1cccc(N(c2ccccn2)c2cccc3ccccc23)c1.CC(C)(C)c1cc(-c2cc(-c3[c-]c(N(c4ccccn4)c4cccc5ccccc45)ccc3)nc(-c3cccc4c3[n-]c3ccccc34)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3cccc(N(c4ccccn4)c4cccc5ccccc45)c3)nc(-c3cccc4c3Cc3ccccc3-4)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(Cl)nc(-c3cccc(N(c4ccccn4)c4cccc5ccccc45)c3)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(Cl)nc(Cl)c2)cc(C(C)(C)C)c1.CC1(C)OB(c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)OC1(C)C.OB(O)c1cccc2c1Cc1ccccc1-2.[Pt+2] |
| InChI | InChI=1S/C53H47N3.C52H44N4.C40H38ClN3.C27H27BN2O2.C21H15BrN2.C19H23Cl2N.C13H11BO2.Pt/c1-52(2,3)40-28-38(29-41(34-40)53(4,5)6)39-32-48(55-49(33-39)46-24-15-23-45-43-21-9-8-17-36(43)31-47(45)46)37-19-13-20-42(30-37)56(51-26-11-12-27-54-51)50-25-14-18-35-16-7-10-22-44(35)50;1-51(2,3)38-28-36(29-39(33-38)52(4,5)6)37-31-46(54-47(32-37)44-23-15-22-43-42-21-9-10-24-45(42)55-50(43)44)35-18-13-19-40(30-35)56(49-26-11-12-27-53-49)48-25-14-17-34-16-7-8-20-41(34)48;1-39(2,3)31-21-29(22-32(26-31)40(4,5)6)30-24-35(43-37(41)25-30)28-15-11-16-33(23-28)44(38-19-9-10-20-42-38)36-18-12-14-27-13-7-8-17-34(27)36;1-26(2)27(3,4)32-28(31-26)21-13-10-14-22(19-21)30(25-17-7-8-18-29-25)24-16-9-12-20-11-5-6-15-23(20)24;22-17-9-6-10-18(15-17)24(21-13-3-4-14-23-21)20-12-5-8-16-7-1-2-11-19(16)20;1-18(2,3)14-7-12(8-15(11-14)19(4,5)6)13-9-16(20)22-17(21)10-13;15-14(16)13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;/h7-30,32-34H,31H2,1-6H3;7-29,31-33H,1-6H3;7-26H,1-6H3;5-19H,1-4H3;1-15H;7-11H,1-6H3;1-7,15-16H,8H2;/q;-2;;;;;;+2 |
| InChIKey | NNNRNOZWHYQLLV-UHFFFAOYSA-N |
| XLogP | 59.76 |
| TPSA | 205.23 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3586.18 |
| LogP ≤ 5 | 59.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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