C164H130N6O — CID 160939308
N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine (PubChem CID 160939308) has the molecular formula C164H130N6O and a molecular weight of 2200.88 g/mol. Its IUPAC name is N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine.
| Compound Name | N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine |
|---|---|
| PubChem CID | 160939308 |
| Molecular Formula | C164H130N6O |
| Molecular Weight | 2200.88 g/mol |
| Exact Mass | 2199.03 |
| IUPAC Name | N-(8,8a-dihydrophenanthren-2-yl)-N-(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine |
| SMILES | C1=CCC2C=Cc3cc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc3C2=C1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc2c(c1)-c1c(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cccc1C21C2CC3CC(C2)CC1C3 |
| InChI | InChI=1S/C58H46N2.C54H44N2.C52H40N2O/c1-2-11-40(12-3-1)41-21-23-42(24-22-41)43-25-27-46(28-26-43)59(47-29-31-48(32-30-47)60-54-18-8-5-13-49(54)50-14-6-9-19-55(50)60)56-20-10-17-53-57(56)51-15-4-7-16-52(51)58(53)44-34-38-33-39(36-44)37-45(58)35-38;1-2-11-43-36(10-1)20-21-37-33-42(26-27-44(37)43)55(40-22-24-41(25-23-40)56-50-17-7-4-12-45(50)46-13-5-8-18-51(46)56)52-19-9-16-49-53(52)47-14-3-6-15-48(47)54(49)38-29-34-28-35(31-38)32-39(54)30-34;1-5-14-44-43(13-1)51-45(52(44)34-27-32-26-33(29-34)30-35(52)28-32)15-9-18-48(51)53(38-24-25-42-41-12-4-8-19-49(41)55-50(42)31-38)36-20-22-37(23-21-36)54-46-16-6-2-10-39(46)40-11-3-7-17-47(40)54/h1-32,38-39,44-45H,33-37H2;1-9,11-27,33-36,38-39H,10,28-32H2;1-25,31-35H,26-30H2 |
| InChIKey | SUHHYRNKMNPEEL-UHFFFAOYSA-N |
| XLogP | 43.15 |
| TPSA | 37.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2200.88 |
| LogP ≤ 5 | 43.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |