C117H104F6N10O2PPt4S-9 — CID 158587129
N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 158587129) has the molecular formula C117H104F6N10O2PPt4S-9 and a molecular weight of 2639.53 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine.
| Compound Name | N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine |
|---|---|
| PubChem CID | 158587129 |
| Molecular Formula | C117H104F6N10O2PPt4S-9 |
| Molecular Weight | 2639.53 g/mol |
| Exact Mass | 2637.63 |
| IUPAC Name | N,N-dimethyl-1-phenylmethanamine;dimethyl(phenylmethyl)phosphanium;(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-ylidene)oxidanium;bis(methyl-(2-methylazanidylphenyl)azanide);phenylbenzene;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);platinum;bis(platinum(2+));2-(3H-thiophen-3-id-2-yl)pyridine |
| SMILES | CN(C)Cc1[c-]cccc1.C[N-]c1ccccc1[N-]C.C[N-]c1ccccc1[N-]C.C[PH+](C)Cc1[c-]cccc1.[H]/[O+]=C(/C=C(O)C(F)(F)F)C(F)(F)F.[Pt+2].[Pt+2].[Pt].[Pt].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1 |
| InChI | InChI=1S/C12H10N.2C12H8.3C11H8N.C9H6NS.C9H12N.C9H12P.2C8H10N2.C5H2F6O2.4Pt/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-10(2)8-9-6-4-3-5-7-9;2*1-9-7-5-3-4-6-8(7)10-2;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h1-6,8-9H,10H2;2*1-7,9H;3*1-6,8-9H;1-4,6-7H;2*3-6H,8H2,1-2H3;2*3-6H,1-2H3;1,12H;;;;/q-1;2*-2;6*-1;2*-2;;;;2*+2/p+2 |
| InChIKey | HLIUMFWIYINBAS-UHFFFAOYSA-P |
| XLogP | 30.65 |
| TPSA | 165.72 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 141 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2639.53 |
| LogP ≤ 5 | 30.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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