C353H211N19O10S3 — CID 167624130
6-(7-carbazol-9-yldibenzothiophen-3-yl)-[1]benzofuro[2,3-b]indole;6-(8-carbazol-9-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-b]indole;6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-[1]benzofuro[2,3-b]indole;6-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole (PubChem CID 167624130) has the molecular formula C353H211N19O10S3 and a molecular weight of 4974.89 g/mol. Its IUPAC name is 6-(7-carbazol-9-yldibenzothiophen-3-yl)-[1]benzofuro[2,3-b]indole;6-(8-carbazol-9-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-b]indole;6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-[1]benzofuro[2,3-b]indole;6-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole.
| Compound Name | 6-(7-carbazol-9-yldibenzothiophen-3-yl)-[1]benzofuro[2,3-b]indole;6-(8-carbazol-9-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-b]indole;6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-[1]benzofuro[2,3-b]indole;6-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole |
|---|---|
| PubChem CID | 167624130 |
| Molecular Formula | C353H211N19O10S3 |
| Molecular Weight | 4974.89 g/mol |
| Exact Mass | 4970.57 |
| IUPAC Name | 6-(7-carbazol-9-yldibenzothiophen-3-yl)-[1]benzofuro[2,3-b]indole;6-(8-carbazol-9-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-b]indole;6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-[1]benzofuro[2,3-b]indole;6-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole |
| SMILES | c1ccc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5c6ccccc6oc54)cc32)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5c6ccccc6oc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6c7ccccc7oc65)c5oc6ccccc6c45)ccc32)cc1.c1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C3(c4ccccc4-c4ccccc43)c3cc(-n4c5ccccc5c5c6ccccc6oc54)ccc32)cc1.c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2c(c1)sc1cc(-n3c4ccccc4c4ccccc43)ccc12.c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2oc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2sc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3c2c1.c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1 |
| InChI | InChI=1S/C57H35N3O.2C44H27N3O.2C44H26N2O2.C44H26N2OS.2C38H22N2OS/c1-2-16-36(17-3-1)58-52-32-30-37(59-49-26-12-6-20-41(49)42-21-7-13-27-50(42)59)34-47(52)57(45-24-10-4-18-39(45)40-19-5-11-25-46(40)57)48-35-38(31-33-53(48)58)60-51-28-14-8-22-43(51)55-44-23-9-15-29-54(44)61-56(55)60;1-2-12-28(13-3-1)45-40-26-29(46-37-18-8-4-14-31(37)32-15-5-9-19-38(32)46)22-24-33(40)34-25-23-30(27-41(34)45)47-39-20-10-6-16-35(39)43-36-17-7-11-21-42(36)48-44(43)47;1-2-12-28(13-3-1)45-40-24-22-29(46-37-18-8-4-14-31(37)32-15-5-9-19-38(32)46)26-35(40)36-27-30(23-25-41(36)45)47-39-20-10-6-16-33(39)43-34-17-7-11-21-42(34)48-44(43)47;1-5-13-37-31(9-1)32-10-2-6-14-38(32)45(37)29-20-17-27(18-21-29)28-19-23-41-35(25-28)36-26-30(22-24-42(36)47-41)46-39-15-7-3-11-33(39)43-34-12-4-8-16-40(34)48-44(43)46;1-2-12-28(13-3-1)45-35-18-8-4-14-30(35)34-26-27(22-24-37(34)45)29-23-25-38(43-41(29)32-16-6-10-20-39(32)47-43)46-36-19-9-5-15-31(36)42-33-17-7-11-21-40(33)48-44(42)46;1-5-13-37-31(9-1)32-10-2-6-14-38(32)45(37)29-20-17-27(18-21-29)28-19-23-41-35(25-28)36-26-30(22-24-42(36)48-41)46-39-15-7-3-11-33(39)43-34-12-4-8-16-40(34)47-44(43)46;1-5-13-31-25(9-1)26-10-2-6-14-32(26)39(31)23-17-19-27-28-20-18-24(22-36(28)42-35(27)21-23)40-33-15-7-3-11-29(33)37-30-12-4-8-16-34(30)41-38(37)40;1-5-13-31-25(9-1)26-10-2-6-14-32(26)39(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)42-35)40-33-15-7-3-11-27(33)37-28-12-4-8-16-34(28)41-38(37)40/h1-35H;2*1-27H;3*1-26H;2*1-22H |
| InChIKey | MVSWVHHWEUGJJN-UHFFFAOYSA-N |
| XLogP | 97.26 |
| TPSA | 223.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 385 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4974.89 |
| LogP ≤ 5 | 97.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |