C207H144 — CID 165023412
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene (PubChem CID 165023412) has the molecular formula C207H144 and a molecular weight of 2631.43 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene.
| Compound Name | 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene |
|---|---|
| PubChem CID | 165023412 |
| Molecular Formula | C207H144 |
| Molecular Weight | 2631.43 g/mol |
| Exact Mass | 2629.13 |
| IUPAC Name | 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/2C39H28.C35H26.2C34H22.C26H18/c1-39(2)35-21-10-9-15-28(35)29-23-22-26(24-36(29)39)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)30-20-11-13-25-12-3-4-14-27(25)30;1-39(2)35-18-10-9-13-29(35)30-22-21-28(24-36(30)39)38-33-16-7-5-14-31(33)37(32-15-6-8-17-34(32)38)27-20-19-25-11-3-4-12-26(25)23-27;1-35(2)31-19-11-10-14-25(31)26-21-20-24(22-32(26)35)34-29-17-8-6-15-27(29)33(23-12-4-3-5-13-23)28-16-7-9-18-30(28)34;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28;1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h2*3-24H,1-2H3;3-22H,1-2H3;2*1-22H;1-18H |
| InChIKey | LNAQRPGBJYIFNY-UHFFFAOYSA-N |
| XLogP | 57.80 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 12 |
| Heavy Atoms | 207 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2631.43 |
| LogP ≤ 5 | 57.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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