C162H114N2W4 — CID 157219800
10,10-di(phenyl)-9H-anthracene;9H-fluorene;1,2,3,4,5,6-hexakis-phenylbenzene;11H-indolo[1,2-a]benzimidazole;2-phenyl-1,3-dihydroinden-3-ide;3-phenyl-1,2-dihydroinden-2-ide;phenylmethylbenzene;tetraphenylene;tetrakis(tungsten(2+)) (PubChem CID 157219800) has the molecular formula C162H114N2W4 and a molecular weight of 2824.07 g/mol. Its IUPAC name is 10,10-di(phenyl)-9H-anthracene;9H-fluorene;1,2,3,4,5,6-hexakis-phenylbenzene;11H-indolo[1,2-a]benzimidazole;2-phenyl-1,3-dihydroinden-3-ide;3-phenyl-1,2-dihydroinden-2-ide;phenylmethylbenzene;tetraphenylene;tetrakis(tungsten(2+)).
| Compound Name | 10,10-di(phenyl)-9H-anthracene;9H-fluorene;1,2,3,4,5,6-hexakis-phenylbenzene;11H-indolo[1,2-a]benzimidazole;2-phenyl-1,3-dihydroinden-3-ide;3-phenyl-1,2-dihydroinden-2-ide;phenylmethylbenzene;tetraphenylene;tetrakis(tungsten(2+)) |
|---|---|
| PubChem CID | 157219800 |
| Molecular Formula | C162H114N2W4 |
| Molecular Weight | 2824.07 g/mol |
| Exact Mass | 2822.70 |
| IUPAC Name | 10,10-di(phenyl)-9H-anthracene;9H-fluorene;1,2,3,4,5,6-hexakis-phenylbenzene;11H-indolo[1,2-a]benzimidazole;2-phenyl-1,3-dihydroinden-3-ide;3-phenyl-1,2-dihydroinden-2-ide;phenylmethylbenzene;tetraphenylene;tetrakis(tungsten(2+)) |
| SMILES | [C-]1=C(c2[c-]cccc2)Cc2ccccc21.[C-]1=C(c2[c-]cccc2)c2ccccc2C1.[W+2].[W+2].[W+2].[W+2].[c-]1ccccc1C1(c2[c-]cccc2)c2ccccc2Cc2ccccc21.[c-]1ccccc1Cc1[c-]cccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1nc3ccccc3n1-2 |
| InChI | InChI=1S/C42H30.C26H18.C24H16.2C15H10.C14H10N2.2C13H10.4W/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-3-13-22(14-4-1)26(23-15-5-2-6-16-23)24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26;1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h1-30H;1-13,15,17-18H,19H2;1-16H;2*1-6,8-9H,10H2;1-8H,9H2;1-8H,9H2;1-7,9H,11H2;;;;/q;-2;;2*-2;;;-2;4*+2/b;;19-17-,20-18-,23-21-,24-22-;;;;;;;;; |
| InChIKey | WCEQTOSDCMXODY-ZRSAMKAJSA-N |
| XLogP | 39.54 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 168 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2824.07 |
| LogP ≤ 5 | 39.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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