C270H172N8O6S5 — CID 161137669
7-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazole;7-(4-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;7-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[2,3-b]carbazole;7,10-diphenyl-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-10-methyl-[1]benzothiolo[2,3-b]carbazole;7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 161137669) has the molecular formula C270H172N8O6S5 and a molecular weight of 3784.73 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazole;7-(4-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;7-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[2,3-b]carbazole;7,10-diphenyl-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-10-methyl-[1]benzothiolo[2,3-b]carbazole;7-phenyl-[1]benzofuro[2,3-b]carbazole.
| Compound Name | 7-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazole;7-(4-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;7-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[2,3-b]carbazole;7,10-diphenyl-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-10-methyl-[1]benzothiolo[2,3-b]carbazole;7-phenyl-[1]benzofuro[2,3-b]carbazole |
|---|---|
| PubChem CID | 161137669 |
| Molecular Formula | C270H172N8O6S5 |
| Molecular Weight | 3784.73 g/mol |
| Exact Mass | 3781.20 |
| IUPAC Name | 7-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazole;7-(4-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;7-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[2,3-b]carbazole;7,10-diphenyl-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-[1]benzothiolo[2,3-b]carbazole;7-[4-(3,5-diphenylphenyl)-2-methylphenyl]-10-methyl-[1]benzothiolo[2,3-b]carbazole;7-phenyl-[1]benzofuro[2,3-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)ccc21.Cc1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccc(-c2cc(-c4ccccc4)cc(-c4ccccc4)c2)cc1C)sc1ccccc13.c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)sc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)ccc12.c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2sc3ccccc3c2c1.c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cc3)cc12 |
| InChI | InChI=1S/C44H31NS.C43H29NS.C36H21NOS.C33H23NO.C30H17NO2.C30H17NOS.C30H19NS.C24H15NO/c1-28-17-19-41-37(21-28)38-26-39-36-15-9-10-16-43(36)46-44(39)27-42(38)45(41)40-20-18-32(22-29(40)2)35-24-33(30-11-5-3-6-12-30)23-34(25-35)31-13-7-4-8-14-31;1-28-22-31(34-24-32(29-12-4-2-5-13-29)23-33(25-34)30-14-6-3-7-15-30)20-21-39(28)44-40-18-10-8-16-35(40)37-26-38-36-17-9-11-19-42(36)45-43(38)27-41(37)44;1-4-10-31-25(7-1)28-20-30-27-9-3-6-12-35(27)39-36(30)21-32(28)37(31)24-16-13-22(14-17-24)23-15-18-34-29(19-23)26-8-2-5-11-33(26)38-34;1-33(2)27-12-6-3-9-21(27)24-17-20(15-16-28(24)33)34-29-13-7-4-10-22(29)25-18-26-23-11-5-8-14-31(23)35-32(26)19-30(25)34;1-4-10-25-19(7-1)23-16-24-21-9-3-6-12-28(21)33-30(24)17-26(23)31(25)18-13-14-22-20-8-2-5-11-27(20)32-29(22)15-18;1-4-10-25-19(7-1)22-16-23-20-8-2-5-11-27(20)32-28(23)17-26(22)31(25)18-13-14-30-24(15-18)21-9-3-6-12-29(21)33-30;1-3-9-20(10-4-1)21-15-16-27-24(17-21)25-18-26-23-13-7-8-14-29(23)32-30(26)19-28(25)31(27)22-11-5-2-6-12-22;1-2-8-16(9-3-1)25-21-12-6-4-10-17(21)19-14-20-18-11-5-7-13-23(18)26-24(20)15-22(19)25/h3-27H,1-2H3;2-27H,1H3;1-21H;3-19H,1-2H3;2*1-17H;1-19H;1-15H |
| InChIKey | UMZXFMGPGJDINM-UHFFFAOYSA-N |
| XLogP | 78.07 |
| TPSA | 118.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 289 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3784.73 |
| LogP ≤ 5 | 78.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |