C188H110O6 — CID 158442186
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran (PubChem CID 158442186) has the molecular formula C188H110O6 and a molecular weight of 2464.94 g/mol. Its IUPAC name is 2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran.
| Compound Name | 2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 158442186 |
| Molecular Formula | C188H110O6 |
| Molecular Weight | 2464.94 g/mol |
| Exact Mass | 2462.83 |
| IUPAC Name | 2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cc(-c5c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc56)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3cc(-c5c6ccccc6c(-c6ccc7oc8ccc9ccccc9c8c7c6)c6ccccc56)ccc34)c3ccccc23)cc1.c1ccc(-c2ccc3oc4ccc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cccc67)c6ccccc56)cc4c3c2)cc1 |
| InChI | InChI=1S/C64H38O2.2C62H36O2/c1-3-16-39(17-4-1)41-31-34-57-55(36-41)56-37-42(32-35-58(56)65-57)61-45-20-7-9-22-47(45)62(48-23-10-8-21-46(48)61)43-30-33-44-53-28-15-29-54(64(53)66-59(44)38-43)63-51-26-13-11-24-49(51)60(40-18-5-2-6-19-40)50-25-12-14-27-52(50)63;1-2-16-38(17-3-1)57-47-23-10-12-25-49(47)60(50-26-13-11-24-48(50)57)52-28-14-27-51-42-32-29-40(36-56(42)64-62(51)52)59-45-21-8-6-19-43(45)58(44-20-7-9-22-46(44)59)39-31-33-54-53(35-39)61-41-18-5-4-15-37(41)30-34-55(61)63-54;1-2-15-37(16-3-1)58-47-23-10-12-25-49(47)61(50-26-13-11-24-48(50)58)52-28-14-27-51-42-31-29-41(36-56(42)64-62(51)52)60-45-21-8-6-19-43(45)59(44-20-7-9-22-46(44)60)40-30-32-55-53(34-40)54-33-38-17-4-5-18-39(38)35-57(54)63-55/h1-38H;2*1-36H |
| InChIKey | HCYLGFFNPVCWJT-UHFFFAOYSA-N |
| XLogP | 54.27 |
| TPSA | 78.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 194 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2464.94 |
| LogP ≤ 5 | 54.27 |
| 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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