C187H124N8O3S — CID 165069906
N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine (PubChem CID 165069906) has the molecular formula C187H124N8O3S and a molecular weight of 2563.17 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine.
| Compound Name | N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine |
|---|---|
| PubChem CID | 165069906 |
| Molecular Formula | C187H124N8O3S |
| Molecular Weight | 2563.17 g/mol |
| Exact Mass | 2560.95 |
| IUPAC Name | N,N-bis(4-dibenzofuran-4-ylphenyl)-5-phenylbenzo[b]carbazol-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N,5-diphenylbenzo[b]carbazol-11-amine;N-dibenzothiophen-4-yl-N,5-diphenylbenzo[b]carbazol-8-amine;N-(9,9-dimethylfluoren-2-yl)-N,5-diphenylbenzo[b]carbazol-10-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc4cc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc4cc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2c3ccccc3cc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c5ccccc5n(-c5ccccc5)c4cc3c2)c2cccc3c2sc2ccccc23)cc1 |
| InChI | InChI=1S/C58H36N2O2.C46H30N2O.C43H32N2.C40H26N2S/c1-2-12-41(13-3-1)60-53-21-7-4-14-47(53)52-35-40-34-44(33-28-39(40)36-54(52)60)59(42-29-24-37(25-30-42)45-17-10-19-50-48-15-5-8-22-55(48)61-57(45)50)43-31-26-38(27-32-43)46-18-11-20-51-49-16-6-9-23-56(49)62-58(46)51;1-3-14-34(15-4-1)47(36-26-23-31(24-27-36)32-25-28-39-38-19-10-12-22-43(38)49-44(39)30-32)46-37-18-8-7-13-33(37)29-42-45(46)40-20-9-11-21-41(40)48(42)35-16-5-2-6-17-35;1-43(2)38-21-11-9-19-33(38)34-25-24-32(27-39(34)43)44(30-15-5-3-6-16-30)41-23-13-14-29-26-42-37(28-36(29)41)35-20-10-12-22-40(35)45(42)31-17-7-4-8-18-31;1-3-12-29(13-4-1)41(37-20-11-18-34-33-17-8-10-21-39(33)43-40(34)37)31-23-22-27-25-35-32-16-7-9-19-36(32)42(30-14-5-2-6-15-30)38(35)26-28(27)24-31/h1-36H;1-30H;3-28H,1-2H3;1-26H |
| InChIKey | SOUFZJZHGKKFOZ-UHFFFAOYSA-N |
| XLogP | 53.00 |
| TPSA | 72.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2563.17 |
| LogP ≤ 5 | 53.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |