C160H143N3 — CID 160707834
N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine (PubChem CID 160707834) has the molecular formula C160H143N3 and a molecular weight of 2107.92 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine.
| Compound Name | N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine |
|---|---|
| PubChem CID | 160707834 |
| Molecular Formula | C160H143N3 |
| Molecular Weight | 2107.92 g/mol |
| Exact Mass | 2106.13 |
| IUPAC Name | N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cc(-c2ccc(-c3ccccc3)cc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3CCc3ccccc31)c1ccccc1-2 |
| InChI | InChI=1S/C62H49N.C52H49N.C46H45N/c1-40-36-47(44-28-26-43(27-29-44)42-16-6-5-7-17-42)37-41(2)60(40)63(48-32-34-52-50-20-10-14-24-56(50)61(3,4)58(52)38-48)49-33-35-53-51-21-11-15-25-57(51)62(59(53)39-49)54-22-12-8-18-45(54)30-31-46-19-9-13-23-55(46)62;1-50(2)46-11-7-5-9-42(46)44-23-21-40(28-48(44)50)53(41-22-24-45-43-10-6-8-12-47(43)51(3,4)49(45)29-41)39-19-15-37(16-20-39)36-13-17-38(18-14-36)52-30-33-25-34(31-52)27-35(26-33)32-52;1-44(2)40-11-7-5-9-36(40)38-19-17-34(24-42(38)44)47(35-18-20-39-37-10-6-8-12-41(37)45(3,4)43(39)25-35)33-15-13-32(14-16-33)46-26-29-21-30(27-46)23-31(22-29)28-46/h5-29,32-39H,30-31H2,1-4H3;5-24,28-29,33-35H,25-27,30-32H2,1-4H3;5-20,24-25,29-31H,21-23,26-28H2,1-4H3 |
| InChIKey | RRLPUKDBOSEEFR-UHFFFAOYSA-N |
| XLogP | 42.02 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 163 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2107.92 |
| LogP ≤ 5 | 42.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |