C170H143N3O — CID 159494511
9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 159494511) has the molecular formula C170H143N3O and a molecular weight of 2244.03 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
| Compound Name | 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine |
|---|---|
| PubChem CID | 159494511 |
| Molecular Formula | C170H143N3O |
| Molecular Weight | 2244.03 g/mol |
| Exact Mass | 2242.12 |
| IUPAC Name | 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine |
| SMILES | CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cccc21.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2-c2ccccc2C3(C)C)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3 |
| InChI | InChI=1S/C61H51N.C56H49N.C53H43NO/c1-60(2)54-20-11-10-19-51(54)59-57(60)22-13-23-58(59)62(47-27-24-42(25-28-47)41-14-5-3-6-15-41)48-29-30-49(52(38-48)43-16-7-4-8-17-43)44-26-31-56-53(37-44)50-18-9-12-21-55(50)61(56)45-33-39-32-40(35-45)36-46(61)34-39;1-35-28-44(25-26-45(35)40-22-27-51-48(34-40)46-14-7-10-17-50(46)56(51)41-30-36-29-37(32-41)33-42(56)31-36)57(43-23-20-39(21-24-43)38-12-5-4-6-13-38)53-19-11-18-52-54(53)47-15-8-9-16-49(47)55(52,2)3;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h3-31,37-40,45-46H,32-36H2,1-2H3;4-28,34,36-37,41-42H,29-33H2,1-3H3;2-26,32,34-35,39-40H,27-31H2,1H3 |
| InChIKey | LYPPKYFLRIUORN-UHFFFAOYSA-N |
| XLogP | 45.43 |
| TPSA | 22.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 174 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2244.03 |
| LogP ≤ 5 | 45.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |