C220H132O6 — CID 163549748
6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 163549748) has the molecular formula C220H132O6 and a molecular weight of 2871.47 g/mol. Its IUPAC name is 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
| Compound Name | 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran |
|---|---|
| PubChem CID | 163549748 |
| Molecular Formula | C220H132O6 |
| Molecular Weight | 2871.47 g/mol |
| Exact Mass | 2869.00 |
| IUPAC Name | 6-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;6-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran |
| SMILES | c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3c4ccccc4cc4c3oc3ccccc34)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5c4oc4ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C48H28O2.2C46H28O.2C40H24O/c1-2-13-30-26-33(25-24-29(30)12-1)45-38-20-5-3-18-36(38)44(37-19-4-6-21-39(37)45)31-14-11-15-32(27-31)46-47-40(34-16-7-9-22-42(34)49-47)28-41-35-17-8-10-23-43(35)50-48(41)46;1-3-18-33-29(13-1)15-12-25-34(33)30-16-11-17-32(27-30)43-37-21-5-7-23-39(37)44(40-24-8-6-22-38(40)43)45-35-19-4-2-14-31(35)28-41-36-20-9-10-26-42(36)47-46(41)45;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)45-35-17-4-3-14-33(35)28-41-36-18-9-10-23-42(36)47-46(41)45;1-3-15-27-25(12-1)14-11-22-30(27)37-31-18-5-7-20-33(31)38(34-21-8-6-19-32(34)37)39-28-16-4-2-13-26(28)24-35-29-17-9-10-23-36(29)41-40(35)39;1-2-12-26-23-28(22-21-25(26)11-1)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)39-29-14-4-3-13-27(29)24-35-30-15-9-10-20-36(30)41-40(35)39/h1-28H;2*1-28H;2*1-24H |
| InChIKey | FIBQLUSRBURNDM-UHFFFAOYSA-N |
| XLogP | 63.41 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2871.47 |
| LogP ≤ 5 | 63.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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