C290H225N5O5 — CID 163638025
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine (PubChem CID 163638025) has the molecular formula C290H225N5O5 and a molecular weight of 3860.02 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine.
| Compound Name | N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine |
|---|---|
| PubChem CID | 163638025 |
| Molecular Formula | C290H225N5O5 |
| Molecular Weight | 3860.02 g/mol |
| Exact Mass | 3856.75 |
| IUPAC Name | N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7c(c6)C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cccc5c34)cc2)cc1 |
| InChI | InChI=1S/5C58H45NO/c1-3-11-39(12-4-1)41-21-26-46(27-22-41)59(47-28-23-42(24-29-47)40-13-5-2-6-14-40)54-19-10-20-55-56(54)50-17-9-16-48(57(50)60-55)43-25-30-53-51(36-43)49-15-7-8-18-52(49)58(53)44-32-37-31-38(34-44)35-45(58)33-37;1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-52-51-28-22-43(35-55(51)60-56(52)36-48)49-15-9-16-53-50-14-7-8-17-54(50)58(57(49)53)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-27-52-51-26-19-44(35-56(51)60-57(52)36-49)43-20-28-55-53(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-56-53(36-49)52-27-20-44(35-57(52)60-56)43-19-26-51-50-13-7-8-14-54(50)58(55(51)34-43)45-30-37-29-38(32-45)33-46(58)31-37/h1-30,36-38,44-45H,31-35H2;1-29,35-38,44-45H,30-34H2;3*1-28,34-38,45-46H,29-33H2 |
| InChIKey | IBWKJODYJSUNDP-UHFFFAOYSA-N |
| XLogP | 78.90 |
| TPSA | 81.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3860.02 |
| LogP ≤ 5 | 78.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |