C255H154O5 — CID 158069589
9-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 158069589) has the molecular formula C255H154O5 and a molecular weight of 3298.03 g/mol. Its IUPAC name is 9-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 9-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 158069589 |
| Molecular Formula | C255H154O5 |
| Molecular Weight | 3298.03 g/mol |
| Exact Mass | 3295.18 |
| IUPAC Name | 9-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5c7ccccc7ccc65)c5ccccc45)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc21.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc45)cc3oc21.c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc45)cc3oc21 |
| InChI | InChI=1S/C55H32O.C55H34O.C52H30O.C48H28O.C45H30O/c1-2-14-36-33(13-1)25-30-46-41-29-27-35(32-51(41)56-54(36)46)53-44-20-5-3-18-42(44)52(43-19-4-6-21-45(43)53)34-26-28-40-39-17-9-12-24-49(39)55(50(40)31-34)47-22-10-7-15-37(47)38-16-8-11-23-48(38)55;1-3-16-38(17-4-1)55(39-18-5-2-6-19-39)49-26-14-13-21-41(49)42-30-28-36(33-50(42)55)52-44-22-9-11-24-46(44)53(47-25-12-10-23-45(47)52)37-29-31-43-48-32-27-35-15-7-8-20-40(35)54(48)56-51(43)34-37;1-2-14-33-31(13-1)25-28-45-38-27-26-32(29-48(38)53-52(33)45)49-41-21-9-11-23-43(41)51(44-24-12-10-22-42(44)49)47-30-46-36-17-4-3-15-34(36)35-16-5-7-19-39(35)50(46)40-20-8-6-18-37(40)47;1-3-13-33-29(11-1)21-22-31-27-43(35-15-5-6-16-37(35)45(31)33)47-40-19-9-7-17-38(40)46(39-18-8-10-20-41(39)47)32-24-25-36-42-26-23-30-12-2-4-14-34(30)48(42)49-44(36)28-32;1-45(2)39-18-10-9-13-31(39)32-22-20-28(25-40(32)45)42-34-14-5-7-16-36(34)43(37-17-8-6-15-35(37)42)29-21-23-33-38-24-19-27-11-3-4-12-30(27)44(38)46-41(33)26-29/h1-32H;1-34H;1-30H;1-28H;3-26H,1-2H3 |
| InChIKey | FLQXOHXJSQJDQR-UHFFFAOYSA-N |
| XLogP | 70.98 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 260 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3298.03 |
| LogP ≤ 5 | 70.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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