C258H180 — CID 161492939
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-ethyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-methyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9H-fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9-propylfluoren-2-yl]anthracene (PubChem CID 161492939) has the molecular formula C258H180 and a molecular weight of 3280.28 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-ethyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-methyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9H-fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9-propylfluoren-2-yl]anthracene.
| Compound Name | 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-ethyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-methyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9H-fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9-propylfluoren-2-yl]anthracene |
|---|---|
| PubChem CID | 161492939 |
| Molecular Formula | C258H180 |
| Molecular Weight | 3280.28 g/mol |
| Exact Mass | 3277.41 |
| IUPAC Name | 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-ethyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-methyl-9-(2-phenylphenyl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9H-fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-phenylphenyl)-9-propylfluoren-2-yl]anthracene |
| SMILES | CC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CCC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CCCC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5-c5ccccc5)c5ccccc5-6)c5ccccc45)cc3)c2)cc1 |
| InChI | InChI=1S/C66H48.C65H46.C64H44.C63H42/c1-2-40-66(61-32-18-16-26-54(61)48-24-10-5-11-25-48)62-33-19-17-27-55(62)56-39-38-50(44-63(56)66)65-59-30-14-12-28-57(59)64(58-29-13-15-31-60(58)65)49-36-34-47(35-37-49)53-42-51(45-20-6-3-7-21-45)41-52(43-53)46-22-8-4-9-23-46;1-2-65(60-32-18-16-26-53(60)47-24-10-5-11-25-47)61-33-19-17-27-54(61)55-39-38-49(43-62(55)65)64-58-30-14-12-28-56(58)63(57-29-13-15-31-59(57)64)48-36-34-46(35-37-48)52-41-50(44-20-6-3-7-21-44)40-51(42-52)45-22-8-4-9-23-45;1-64(59-31-17-15-25-52(59)46-23-9-4-10-24-46)60-32-18-16-26-53(60)54-38-37-48(42-61(54)64)63-57-29-13-11-27-55(57)62(56-28-12-14-30-58(56)63)47-35-33-45(34-36-47)51-40-49(43-19-5-2-6-20-43)39-50(41-51)44-21-7-3-8-22-44;1-4-18-42(19-5-1)48-38-49(43-20-6-2-7-21-43)40-50(39-48)44-32-34-46(35-33-44)61-56-28-14-16-30-58(56)62(59-31-17-15-29-57(59)61)47-36-37-53-52-25-11-13-27-55(52)63(60(53)41-47)54-26-12-10-24-51(54)45-22-8-3-9-23-45/h3-39,41-44H,2,40H2,1H3;3-43H,2H2,1H3;2-42H,1H3;1-41,63H |
| InChIKey | WFVFTQSAIRUXDG-UHFFFAOYSA-N |
| XLogP | 70.32 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 31 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3280.28 |
| LogP ≤ 5 | 70.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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