C279H218 — CID 162149508
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9,9-di(propan-2-yl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-ethyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-methyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9H-fluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9-propylfluoren-2-yl)anthracene (PubChem CID 162149508) has the molecular formula C279H218 and a molecular weight of 3570.81 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9,9-di(propan-2-yl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-ethyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-methyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9H-fluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9-propylfluoren-2-yl)anthracene.
| Compound Name | 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9,9-di(propan-2-yl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-ethyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-methyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9H-fluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9-propylfluoren-2-yl)anthracene |
|---|---|
| PubChem CID | 162149508 |
| Molecular Formula | C279H218 |
| Molecular Weight | 3570.81 g/mol |
| Exact Mass | 3567.71 |
| IUPAC Name | 9-[4-(3,5-diphenylphenyl)phenyl]-10-[9,9-di(propan-2-yl)fluoren-2-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-ethyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-methyl-9-propan-2-ylfluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9H-fluoren-2-yl)anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-(9-propan-2-yl-9-propylfluoren-2-yl)anthracene |
| SMILES | CC(C)C1(C(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CC(C)C1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CC(C)C1c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CCC1(C(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.CCCC1(C(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21 |
| InChI | InChI=1S/2C57H46.C56H44.C55H42.C54H40/c1-37(2)57(38(3)4)53-26-16-15-21-47(53)48-32-31-43(36-54(48)57)56-51-24-13-11-22-49(51)55(50-23-12-14-25-52(50)56)42-29-27-41(28-30-42)46-34-44(39-17-7-5-8-18-39)33-45(35-46)40-19-9-6-10-20-40;1-4-33-57(38(2)3)53-26-16-15-21-47(53)48-32-31-43(37-54(48)57)56-51-24-13-11-22-49(51)55(50-23-12-14-25-52(50)56)42-29-27-41(28-30-42)46-35-44(39-17-7-5-8-18-39)34-45(36-46)40-19-9-6-10-20-40;1-4-56(37(2)3)52-26-16-15-21-46(52)47-32-31-42(36-53(47)56)55-50-24-13-11-22-48(50)54(49-23-12-14-25-51(49)55)41-29-27-40(28-30-41)45-34-43(38-17-7-5-8-18-38)33-44(35-45)39-19-9-6-10-20-39;1-36(2)55(3)51-25-15-14-20-45(51)46-31-30-41(35-52(46)55)54-49-23-12-10-21-47(49)53(48-22-11-13-24-50(48)54)40-28-26-39(27-29-40)44-33-42(37-16-6-4-7-17-37)32-43(34-44)38-18-8-5-9-19-38;1-35(2)52-46-20-10-9-19-44(46)45-30-29-40(34-51(45)52)54-49-23-13-11-21-47(49)53(48-22-12-14-24-50(48)54)39-27-25-38(26-28-39)43-32-41(36-15-5-3-6-16-36)31-42(33-43)37-17-7-4-8-18-37/h5-38H,1-4H3;5-32,34-38H,4,33H2,1-3H3;5-37H,4H2,1-3H3;4-36H,1-3H3;3-35,52H,1-2H3 |
| InChIKey | ZKZVARUYDHBJDM-UHFFFAOYSA-N |
| XLogP | 77.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 34 |
| Heavy Atoms | 279 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3570.81 |
| LogP ≤ 5 | 77.98 |
| 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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