C184H204F2Hf5N18-20 — CID 157149875
[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;octakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium (PubChem CID 157149875) has the molecular formula C184H204F2Hf5N18-20 and a molecular weight of 3598.23 g/mol. Its IUPAC name is [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;octakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium.
| Compound Name | [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;octakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium |
|---|---|
| PubChem CID | 157149875 |
| Molecular Formula | C184H204F2Hf5N18-20 |
| Molecular Weight | 3598.23 g/mol |
| Exact Mass | 3603.39 |
| IUPAC Name | [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;carbanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;octakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;[2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium |
| SMILES | CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cc(F)cc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]ccc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cccc2)n1.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cc(F)cc2)n1)c1cc2ccccc2c2ccccc12.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cccc2)n1)c1c2ccccc2cc2ccccc12.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[CH3-].[Hf].[Hf].[Hf].[Hf].[Hf] |
| InChI | InChI=1S/C36H29FN2.C36H30N2.C34H32N2.C30H29FN2.C30H30N2.8C2H6N.2CH3.5Hf/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-3-25-18-12-19-26(4-2)35(25)38-36(33-23-13-22-32(37-33)27-14-6-5-7-15-27)34-30-20-10-8-16-28(30)24-29-17-9-11-21-31(29)34;1-23(2)27-18-11-19-28(24(3)4)34(27)36-33(26-14-6-5-7-15-26)32-22-12-21-31(35-32)30-20-10-16-25-13-8-9-17-29(25)30;1-20(2)25-12-8-13-26(21(3)4)30(25)33-29(23-10-6-5-7-11-23)28-15-9-14-27(32-28)22-16-18-24(31)19-17-22;1-21(2)25-17-11-18-26(22(3)4)30(25)32-29(24-15-9-6-10-16-24)28-20-12-19-27(31-28)23-13-7-5-8-14-23;8*1-3-2;;;;;;;/h5-19,21-23,36H,3-4H2,1-2H3;5-14,16-24,36H,3-4H2,1-2H3;5-19,21-24,33H,1-4H3;5-16,18-21,29H,1-4H3;5-13,15-22,29H,1-4H3;8*1-2H3;2*1H3;;;;;/q5*-2;10*-1;;;;; |
| InChIKey | FCSGXVBZSJCEIP-UHFFFAOYSA-N |
| XLogP | 52.60 |
| TPSA | 247.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 209 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3598.23 |
| LogP ≤ 5 | 52.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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