C211H162N4O2 — CID 157055090
2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-methylcarbazol-2-yl)phenyl]phenyl]-9-methylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9-phenylcarbazole;2-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene (PubChem CID 157055090) has the molecular formula C211H162N4O2 and a molecular weight of 2785.64 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-methylcarbazol-2-yl)phenyl]phenyl]-9-methylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9-phenylcarbazole;2-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene.
| Compound Name | 2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-methylcarbazol-2-yl)phenyl]phenyl]-9-methylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9-phenylcarbazole;2-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene |
|---|---|
| PubChem CID | 157055090 |
| Molecular Formula | C211H162N4O2 |
| Molecular Weight | 2785.64 g/mol |
| Exact Mass | 2783.27 |
| IUPAC Name | 2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-methylcarbazol-2-yl)phenyl]phenyl]-9-methylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9-phenylcarbazole;2-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc21.COc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)ccc1-2.Cn1c2ccccc2c2ccc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(-c5ccc6c7ccccc7n(C)c6c5)c4)cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21 |
| InChI | InChI=1S/C78H56N2.C68H52N2.C65H54O2/c1-77(2)69-27-15-11-23-61(69)63-35-31-49(45-71(63)77)53-39-55(51-33-37-67-65-25-13-17-29-73(65)79(75(67)47-51)59-19-7-5-8-20-59)43-57(41-53)58-42-54(50-32-36-64-62-24-12-16-28-70(62)78(3,4)72(64)46-50)40-56(44-58)52-34-38-68-66-26-14-18-30-74(66)80(76(68)48-52)60-21-9-6-10-22-60;1-67(2)59-19-11-7-15-51(59)53-27-23-41(37-61(53)67)45-31-47(43-25-29-57-55-17-9-13-21-63(55)69(5)65(57)39-43)35-49(33-45)50-34-46(42-24-28-54-52-16-8-12-20-60(52)68(3,4)62(54)38-42)32-48(36-50)44-26-30-58-56-18-10-14-22-64(56)70(6)66(58)40-44;1-63(2)57-17-13-12-16-51(57)52-23-18-40(34-58(52)63)44-28-43(39-14-10-9-11-15-39)29-47(31-44)48-32-45(41-19-24-53-55-26-21-49(66-7)37-61(55)64(3,4)59(53)35-41)30-46(33-48)42-20-25-54-56-27-22-50(67-8)38-62(56)65(5,6)60(54)36-42/h5-48H,1-4H3;7-40H,1-6H3;9-38H,1-8H3 |
| InChIKey | AAQSWFDVZCLFEY-UHFFFAOYSA-N |
| XLogP | 55.71 |
| TPSA | 38.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2785.64 |
| LogP ≤ 5 | 55.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |