C248H190N8O6S — CID 163969722
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine (PubChem CID 163969722) has the molecular formula C248H190N8O6S and a molecular weight of 3410.36 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine |
|---|---|
| PubChem CID | 163969722 |
| Molecular Formula | C248H190N8O6S |
| Molecular Weight | 3410.36 g/mol |
| Exact Mass | 3407.45 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine |
| SMILES | c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3 |
| InChI | InChI=1S/3C52H40N2O.C46H35NO2.C46H35NOS/c1-5-13-46-40(9-1)45-30-38(22-24-47(45)52(46)34-26-32-25-33(28-34)29-35(52)27-32)53(39-21-23-44-43-12-4-8-16-50(43)55-51(44)31-39)36-17-19-37(20-18-36)54-48-14-6-2-10-41(48)42-11-3-7-15-49(42)54;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)42-21-18-38(30-49(42)54)53(39-19-22-44-43-14-6-9-17-50(43)55-51(44)31-39)37-20-23-47-45(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-2-10-36(11-3-1)54-48-16-8-5-13-41(48)45-30-38(20-23-49(45)54)53(39-18-21-43-42-14-6-9-17-50(42)55-51(43)31-39)37-19-22-47-44(29-37)40-12-4-7-15-46(40)52(47)34-25-32-24-33(27-34)28-35(52)26-32;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-37-35-8-2-5-11-42(35)48-44(37)25-32)33-14-17-38-36-9-3-6-12-43(36)49-45(38)26-33;1-4-10-40-34(7-1)39-24-31(15-18-41(39)46(40)29-20-27-19-28(22-29)23-30(46)21-27)47(32-13-16-36-35-8-2-5-11-42(35)48-43(36)25-32)33-14-17-38-37-9-3-6-12-44(37)49-45(38)26-33/h1-24,30-35H,25-29H2;2*1-23,29-35H,24-28H2;2*1-18,24-30H,19-23H2 |
| InChIKey | SOYCLBMIFRUCAV-UHFFFAOYSA-N |
| XLogP | 67.45 |
| TPSA | 109.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 263 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3410.36 |
| LogP ≤ 5 | 67.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |