C162H192N9O4Y- — CID 159415239
1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2H-naphthalen-2-ide;quinoline;yttrium (PubChem CID 159415239) has the molecular formula C162H192N9O4Y- and a molecular weight of 2418.28 g/mol. Its IUPAC name is 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2H-naphthalen-2-ide;quinoline;yttrium.
| Compound Name | 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2H-naphthalen-2-ide;quinoline;yttrium |
|---|---|
| PubChem CID | 159415239 |
| Molecular Formula | C162H192N9O4Y- |
| Molecular Weight | 2418.28 g/mol |
| Exact Mass | 2416.42 |
| IUPAC Name | 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2H-naphthalen-2-ide;quinoline;yttrium |
| SMILES | C1=Cc2ccc3ccccc3c2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12.COc1ccccc1-c1ccccc1OC.[Y].[c-]1ccc2ccccc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ncccc2c1 |
| InChI | InChI=1S/C22H18O2.C14H14O2.2C13H10.C10H7.C9H7N.C9H8.4C8H7N.2C7H6N2.13C2H6.Y/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;13*1-2;/h3-14H,1-2H3;3-10H,1-2H3;1-8H,9H2;1-6,8-9H,7H2;1-3,5-8H;1-7H;1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;13*1-2H3;/q;;;;-1;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | ZMIOTNPJZHDDAV-UHFFFAOYSA-N |
| XLogP | 44.88 |
| TPSA | 152.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2418.28 |
| LogP ≤ 5 | 44.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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