C216H130O5 — CID 163905847
10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(10-phenanthren-9-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 163905847) has the molecular formula C216H130O5 and a molecular weight of 2813.46 g/mol. Its IUPAC name is 10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(10-phenanthren-9-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.
| Compound Name | 10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(10-phenanthren-9-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran |
|---|---|
| PubChem CID | 163905847 |
| Molecular Formula | C216H130O5 |
| Molecular Weight | 2813.46 g/mol |
| Exact Mass | 2811.04 |
| IUPAC Name | 10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;10-(10-phenanthren-9-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran |
| SMILES | [2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c2c1[2H].c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C46H28O.C44H26O.2C40H24O/c1-3-13-34-29(10-1)12-9-19-35(34)31-20-22-32(23-21-31)44-37-15-5-7-17-39(37)45(40-18-8-6-16-38(40)44)33-25-26-42-41(28-33)46-36-14-4-2-11-30(36)24-27-43(46)47-42;1-2-11-33-27-34(22-19-29(33)9-1)30-17-20-32(21-18-30)44-37-13-5-7-15-39(37)45(40-16-8-6-14-38(40)44)35-24-25-42-41(28-35)46-36-12-4-3-10-31(36)23-26-43(46)47-42;1-4-14-31-27(11-1)21-24-41-44(31)39-26-29(22-23-40(39)45-41)42-34-17-7-9-19-36(34)43(37-20-10-8-18-35(37)42)38-25-28-12-2-3-13-30(28)32-15-5-6-16-33(32)38;1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-22-36-35(24-27)40-29-14-4-2-11-26(29)20-23-37(40)41-36;1-2-11-27-23-28(18-17-25(27)9-1)38-31-13-5-7-15-33(31)39(34-16-8-6-14-32(34)38)29-20-21-36-35(24-29)40-30-12-4-3-10-26(30)19-22-37(40)41-36/h2*1-28H;1-26H;2*1-24H/i;;;5D,6D,7D,8D,15D,16D,17D,18D; |
| InChIKey | QNVHOWDAEOGYKA-JQIKERHISA-N |
| XLogP | 62.15 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 221 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2813.46 |
| LogP ≤ 5 | 62.15 |
| 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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