C210H136O — CID 159188573
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-11H-benzo[b]fluorene;8-[10-(9H-fluoren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(10-naphthalen-2-ylanthracen-9-yl)-11H-benzo[a]fluorene;8-(10-phenylanthracen-9-yl)-11H-benzo[a]fluorene;8-[10-(3-phenylphenyl)anthracen-9-yl]-11H-benzo[a]fluorene (PubChem CID 159188573) has the molecular formula C210H136O and a molecular weight of 2675.40 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-11H-benzo[b]fluorene;8-[10-(9H-fluoren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(10-naphthalen-2-ylanthracen-9-yl)-11H-benzo[a]fluorene;8-(10-phenylanthracen-9-yl)-11H-benzo[a]fluorene;8-[10-(3-phenylphenyl)anthracen-9-yl]-11H-benzo[a]fluorene.
| Compound Name | 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-11H-benzo[b]fluorene;8-[10-(9H-fluoren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(10-naphthalen-2-ylanthracen-9-yl)-11H-benzo[a]fluorene;8-(10-phenylanthracen-9-yl)-11H-benzo[a]fluorene;8-[10-(3-phenylphenyl)anthracen-9-yl]-11H-benzo[a]fluorene |
|---|---|
| PubChem CID | 159188573 |
| Molecular Formula | C210H136O |
| Molecular Weight | 2675.40 g/mol |
| Exact Mass | 2673.06 |
| IUPAC Name | 3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-11H-benzo[b]fluorene;8-[10-(9H-fluoren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-(10-naphthalen-2-ylanthracen-9-yl)-11H-benzo[a]fluorene;8-(10-phenylanthracen-9-yl)-11H-benzo[a]fluorene;8-[10-(3-phenylphenyl)anthracen-9-yl]-11H-benzo[a]fluorene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4cc6ccccc6cc4C5)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccc5ccccc5c3C4)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccc6ccccc6c4C5)c4ccccc34)c2)cc1.c1ccc2c(c1)Cc1ccc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cc1-2.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccc6ccccc6c4C5)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C46H32.C43H26O.C43H28.C41H26.C37H24/c1-46(2)42-18-10-9-13-34(42)35-22-21-32(27-43(35)46)45-38-16-7-5-14-36(38)44(37-15-6-8-17-39(37)45)31-20-19-30-24-33-23-28-11-3-4-12-29(28)25-41(33)40(30)26-31;1-4-12-32-26(9-1)19-21-37-39-25-30(20-22-40(39)44-43(32)37)42-35-15-7-5-13-33(35)41(34-14-6-8-16-36(34)42)29-18-17-28-23-27-10-2-3-11-31(27)38(28)24-29;1-2-11-28(12-3-1)30-14-10-15-32(25-30)42-36-17-6-8-19-38(36)43(39-20-9-7-18-37(39)42)33-22-21-31-26-41-34-16-5-4-13-29(34)23-24-35(41)40(31)27-33;1-2-11-28-23-30(19-17-26(28)9-1)40-34-13-5-7-15-36(34)41(37-16-8-6-14-35(37)40)31-20-18-29-24-39-32-12-4-3-10-27(32)21-22-33(39)38(29)25-31;1-2-11-25(12-3-1)36-30-14-6-8-16-32(30)37(33-17-9-7-15-31(33)36)27-19-18-26-22-35-28-13-5-4-10-24(28)20-21-29(35)34(26)23-27/h3-23,25-27H,24H2,1-2H3;1-22,24-25H,23H2;1-25,27H,26H2;1-23,25H,24H2;1-21,23H,22H2 |
| InChIKey | KNUIELDRASBERK-UHFFFAOYSA-N |
| XLogP | 57.28 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 211 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2675.40 |
| LogP ≤ 5 | 57.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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