C122H80N4Y4-4 — CID 159749642
10-(10H-anthracen-10-id-9-yl)-7-methylbenzo[c]carbazole;7-methyl-10-(4H-naphthalen-4-id-1-yl)benzo[c]carbazole;7-methyl-10-[4-(6H-naphthalen-6-id-2-yl)phenyl]benzo[c]carbazole;7-methyl-10-(7H-phenanthren-7-id-2-yl)benzo[c]carbazole;tetrakis(yttrium) (PubChem CID 159749642) has the molecular formula C122H80N4Y4-4 and a molecular weight of 1957.63 g/mol. Its IUPAC name is 10-(10H-anthracen-10-id-9-yl)-7-methylbenzo[c]carbazole;7-methyl-10-(4H-naphthalen-4-id-1-yl)benzo[c]carbazole;7-methyl-10-[4-(6H-naphthalen-6-id-2-yl)phenyl]benzo[c]carbazole;7-methyl-10-(7H-phenanthren-7-id-2-yl)benzo[c]carbazole;tetrakis(yttrium).
| Compound Name | 10-(10H-anthracen-10-id-9-yl)-7-methylbenzo[c]carbazole;7-methyl-10-(4H-naphthalen-4-id-1-yl)benzo[c]carbazole;7-methyl-10-[4-(6H-naphthalen-6-id-2-yl)phenyl]benzo[c]carbazole;7-methyl-10-(7H-phenanthren-7-id-2-yl)benzo[c]carbazole;tetrakis(yttrium) |
|---|---|
| PubChem CID | 159749642 |
| Molecular Formula | C122H80N4Y4-4 |
| Molecular Weight | 1957.63 g/mol |
| Exact Mass | 1956.26 |
| IUPAC Name | 10-(10H-anthracen-10-id-9-yl)-7-methylbenzo[c]carbazole;7-methyl-10-(4H-naphthalen-4-id-1-yl)benzo[c]carbazole;7-methyl-10-[4-(6H-naphthalen-6-id-2-yl)phenyl]benzo[c]carbazole;7-methyl-10-(7H-phenanthren-7-id-2-yl)benzo[c]carbazole;tetrakis(yttrium) |
| SMILES | Cn1c2ccc(-c3c4ccccc4[c-]c4ccccc34)cc2c2c3ccccc3ccc21.Cn1c2ccc(-c3cc[c-]c4ccccc34)cc2c2c3ccccc3ccc21.Cn1c2ccc(-c3ccc(-c4ccc5c[c-]ccc5c4)cc3)cc2c2c3ccccc3ccc21.Cn1c2ccc(-c3ccc4c(ccc5c[c-]ccc54)c3)cc2c2c3ccccc3ccc21.[Y].[Y].[Y].[Y] |
| InChI | InChI=1S/C33H22N.2C31H20N.C27H18N.4Y/c1-34-31-18-17-28(21-30(31)33-29-9-5-4-7-25(29)16-19-32(33)34)24-12-10-23(11-13-24)27-15-14-22-6-2-3-8-26(22)20-27;1-32-28-16-15-23(19-27(28)31-24-11-5-2-8-20(24)14-17-29(31)32)30-25-12-6-3-9-21(25)18-22-10-4-7-13-26(22)30;1-32-29-16-14-23(19-28(29)31-27-9-5-3-7-21(27)13-17-30(31)32)22-12-15-26-24(18-22)11-10-20-6-2-4-8-25(20)26;1-28-25-15-14-20(22-12-6-9-18-7-2-4-10-21(18)22)17-24(25)27-23-11-5-3-8-19(23)13-16-26(27)28;;;;/h3-21H,1H3;2-17,19H,1H3;3-19H,1H3;2-8,10-17H,1H3;;;;/q4*-1;;;; |
| InChIKey | OHHPXXOVSPXNPZ-UHFFFAOYSA-N |
| XLogP | 32.38 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 130 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1957.63 |
| LogP ≤ 5 | 32.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| 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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