C244H208N4 — CID 161446051
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 161446051) has the molecular formula C244H208N4 and a molecular weight of 3196.38 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
| Compound Name | N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 161446051 |
| Molecular Formula | C244H208N4 |
| Molecular Weight | 3196.38 g/mol |
| Exact Mass | 3193.64 |
| IUPAC Name | N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccc4ccccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccc4ccccc4c3)cc21 |
| InChI | InChI=1S/2C63H53N.2C59H51N/c1-62(2)58-23-9-7-19-54(58)55-31-30-49(37-59(55)62)64(60-24-10-8-20-56(60)52-21-11-15-45-13-3-5-17-50(45)52)61-32-27-47(36-57(61)53-22-12-16-46-14-4-6-18-51(46)53)44-25-28-48(29-26-44)63-38-41-33-42(39-63)35-43(34-41)40-63;1-62(2)59-14-8-7-13-56(59)57-29-28-55(37-60(57)62)64(54-26-21-47(22-27-54)50-17-15-44-9-3-5-11-48(44)34-50)61-30-23-51(36-58(61)52-18-16-45-10-4-6-12-49(45)35-52)46-19-24-53(25-20-46)63-38-41-31-42(39-63)33-43(32-41)40-63;1-58(2)54-18-10-8-17-51(54)52-28-27-49(35-55(52)58)60(56-19-11-9-16-50(56)44-13-4-3-5-14-44)57-29-24-46(34-53(57)47-21-20-42-12-6-7-15-45(42)33-47)43-22-25-48(26-23-43)59-36-39-30-40(37-59)32-41(31-39)38-59;1-58(2)55-15-9-8-14-52(55)53-28-27-51(35-56(53)58)60(50-25-20-44(21-26-50)42-10-4-3-5-11-42)57-29-22-47(34-54(57)48-17-16-43-12-6-7-13-46(43)33-48)45-18-23-49(24-19-45)59-36-39-30-40(37-59)32-41(31-39)38-59/h3-32,36-37,41-43H,33-35,38-40H2,1-2H3;3-30,34-37,41-43H,31-33,38-40H2,1-2H3;2*3-29,33-35,39-41H,30-32,36-38H2,1-2H3 |
| InChIKey | VZXCTUVHCAQASF-UHFFFAOYSA-N |
| XLogP | 66.65 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 248 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3196.38 |
| LogP ≤ 5 | 66.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |