C294H172O9 — CID 165075509
11-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 165075509) has the molecular formula C294H172O9 and a molecular weight of 3848.60 g/mol. Its IUPAC name is 11-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.
| Compound Name | 11-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran |
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| PubChem CID | 165075509 |
| Molecular Formula | C294H172O9 |
| Molecular Weight | 3848.60 g/mol |
| Exact Mass | 3845.30 |
| IUPAC Name | 11-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran |
| SMILES | c1ccc2c(c1)ccc1oc3ccc(-c4c5ccccc5c(-c5ccc6oc7ccc8ccccc8c7c6c5)c5ccccc45)cc3c12.c1ccc2c(c1)oc1c3ccccc3c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6cc6c5oc5ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6c5oc5ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7oc6c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc34)ccc2c1 |
| InChI | InChI=1S/C52H30O2.3C50H30O.2C46H26O2/c1-3-13-33-27-36(23-21-31(33)11-1)48-39-16-5-6-17-40(39)49(37-24-22-32-12-2-4-14-34(32)28-37)44-29-35(25-26-41(44)48)43-30-45-38-15-7-9-19-46(38)53-52(45)50-42-18-8-10-20-47(42)54-51(43)50;1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44;1-3-13-33-27-36(23-21-31(33)11-1)47-41-18-7-8-19-42(41)48(37-24-22-32-12-2-4-14-34(32)28-37)44-30-38(25-26-43(44)47)49-39-16-6-5-15-35(39)29-45-40-17-9-10-20-46(40)51-50(45)49;1-3-12-34-27-38(19-17-31(34)9-1)48-41-15-7-8-16-42(41)49(39-20-18-32-10-2-4-13-35(32)28-39)44-29-36(21-24-43(44)48)37-23-25-46-45(30-37)50-40-14-6-5-11-33(40)22-26-47(50)51-46;1-7-21-35-27(13-1)37(25-39-29-15-9-11-23-41(29)47-45(35)39)43-31-17-3-5-19-33(31)44(34-20-6-4-18-32(34)43)38-26-40-30-16-10-12-24-42(30)48-46(40)36-22-8-2-14-28(36)38;1-3-11-31-27(9-1)17-23-41-45(31)37-25-29(19-21-39(37)47-41)43-33-13-5-7-15-35(33)44(36-16-8-6-14-34(36)43)30-20-22-40-38(26-30)46-32-12-4-2-10-28(32)18-24-42(46)48-40/h1-30H;3*1-30H;2*1-26H |
| InChIKey | UFWWUSYHSHZZCY-UHFFFAOYSA-N |
| XLogP | 85.02 |
| TPSA | 118.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 303 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3848.60 |
| LogP ≤ 5 | 85.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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