C174H141N3O — CID 158808196
9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-4-amine;N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)dibenzofuran-4-amine (PubChem CID 158808196) has the molecular formula C174H141N3O and a molecular weight of 2290.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-4-amine;N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)dibenzofuran-4-amine.
| Compound Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-4-amine;N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)dibenzofuran-4-amine |
|---|---|
| PubChem CID | 158808196 |
| Molecular Formula | C174H141N3O |
| Molecular Weight | 2290.06 g/mol |
| Exact Mass | 2288.11 |
| IUPAC Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)fluoren-4-amine;N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)dibenzofuran-4-amine |
| SMILES | CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)cccc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)c21.c1ccc(-c2ccc(N(c3cccc4c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cccc34)c3cccc4c3oc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/2C59H49N.C56H43NO/c1-58(2)51-20-8-7-16-49(51)57-54(58)22-12-24-56(57)60(44-28-25-40(26-29-44)39-13-4-3-5-14-39)55-23-11-18-46-45(17-10-19-48(46)55)41-27-30-53-50(36-41)47-15-6-9-21-52(47)59(53)42-32-37-31-38(34-42)35-43(59)33-37;1-58(2)52-21-8-6-15-47(52)50-20-12-24-56(57(50)58)60(44-28-25-40(26-29-44)39-13-4-3-5-14-39)55-23-11-18-46-45(17-10-19-49(46)55)41-27-30-54-51(36-41)48-16-7-9-22-53(48)59(54)42-32-37-31-38(34-42)35-43(59)33-37;1-2-11-37(12-3-1)38-23-26-42(27-24-38)57(53-21-10-18-48-47-14-5-7-22-54(47)58-55(48)53)52-20-9-16-44-43(15-8-17-46(44)52)39-25-28-51-49(34-39)45-13-4-6-19-50(45)56(51)40-30-35-29-36(32-40)33-41(56)31-35/h2*3-30,36-38,42-43H,31-35H2,1-2H3;1-28,34-36,40-41H,29-33H2 |
| InChIKey | IUIQJZGPUDGQLO-UHFFFAOYSA-N |
| XLogP | 46.61 |
| TPSA | 22.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.06 |
| LogP ≤ 5 | 46.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |