C201H125NO4 — CID 160566054
8-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-9-phenylcarbazole;8-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 160566054) has the molecular formula C201H125NO4 and a molecular weight of 2618.21 g/mol. Its IUPAC name is 8-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-9-phenylcarbazole;8-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 8-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-9-phenylcarbazole;8-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 160566054 |
| Molecular Formula | C201H125NO4 |
| Molecular Weight | 2618.21 g/mol |
| Exact Mass | 2615.96 |
| IUPAC Name | 8-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;3-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-9-phenylcarbazole;8-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc13)c1ccccc21.c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc45)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cc21 |
| InChI | InChI=1S/C55H32O.2C49H32O.C48H29NO/c1-2-14-36-33(13-1)25-29-45-46-31-34(27-30-51(46)56-54(36)45)52-41-18-3-5-20-43(41)53(44-21-6-4-19-42(44)52)35-26-28-40-39-17-9-12-24-49(39)55(50(40)32-35)47-22-10-7-15-37(47)38-16-8-11-23-48(38)55;1-49(2)42-25-21-29-11-3-5-13-33(29)47(42)40-24-20-32(28-43(40)49)46-37-17-9-7-15-35(37)45(36-16-8-10-18-38(36)46)31-22-26-44-41(27-31)39-23-19-30-12-4-6-14-34(30)48(39)50-44;1-49(2)42-22-12-11-21-39(42)47-33-16-6-5-15-32(33)41(28-43(47)49)46-36-19-9-7-17-34(36)45(35-18-8-10-20-37(35)46)30-24-26-44-40(27-30)38-25-23-29-13-3-4-14-31(29)48(38)50-44;1-2-13-33(14-3-1)49-43-21-11-10-16-35(43)41-28-31(23-26-44(41)49)46-36-17-6-8-19-38(36)47(39-20-9-7-18-37(39)46)32-24-27-45-42(29-32)40-25-22-30-12-4-5-15-34(30)48(40)50-45/h1-32H;2*3-28H,1-2H3;1-29H |
| InChIKey | QZXYKXHWZLUSRE-UHFFFAOYSA-N |
| XLogP | 55.88 |
| TPSA | 57.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 206 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2618.21 |
| LogP ≤ 5 | 55.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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