C176H155N3 — CID 161114860
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine (PubChem CID 161114860) has the molecular formula C176H155N3 and a molecular weight of 2312.20 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine.
| Compound Name | N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine |
|---|---|
| PubChem CID | 161114860 |
| Molecular Formula | C176H155N3 |
| Molecular Weight | 2312.20 g/mol |
| Exact Mass | 2310.22 |
| IUPAC Name | N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-methyl-4,6-diphenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-4-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-4-amine |
| SMILES | CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccc4ccccc4c3)cccc21.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)c1cccc2c1-c1ccccc1C2(C)C |
| InChI | InChI=1S/C61H53N.C59H51N.C56H51N/c1-60(2)55-22-13-12-21-52(55)58-56(60)23-14-24-57(58)62(51-31-27-46(28-32-51)45-25-29-50(30-26-45)61-38-41-33-42(39-61)35-43(34-41)40-61)59-53(47-17-8-4-9-18-47)36-49(44-15-6-3-7-16-44)37-54(59)48-19-10-5-11-20-48;1-58(2)53-16-9-8-15-51(53)57-54(58)17-10-18-56(57)60(55-30-25-47(42-11-4-3-5-12-42)35-52(55)48-20-19-43-13-6-7-14-46(43)34-48)50-28-23-45(24-29-50)44-21-26-49(27-22-44)59-36-39-31-40(37-59)33-41(32-39)38-59;1-37-29-45(41-13-6-4-7-14-41)33-49(44-15-8-5-9-16-44)54(37)57(52-20-12-19-51-53(52)48-17-10-11-18-50(48)55(51,2)3)47-27-23-43(24-28-47)42-21-25-46(26-22-42)56-34-38-30-39(35-56)32-40(31-38)36-56/h3-32,36-37,41-43H,33-35,38-40H2,1-2H3;3-30,34-35,39-41H,31-33,36-38H2,1-2H3;4-29,33,38-40H,30-32,34-36H2,1-3H3 |
| InChIKey | UKEHHIGDBGKNLQ-UHFFFAOYSA-N |
| XLogP | 47.92 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 179 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2312.20 |
| LogP ≤ 5 | 47.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |