C389H243N19O10S3 — CID 167645171
8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole;8-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 167645171) has the molecular formula C389H243N19O10S3 and a molecular weight of 5439.55 g/mol. Its IUPAC name is 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole;8-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.
| Compound Name | 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole;8-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole |
|---|---|
| PubChem CID | 167645171 |
| Molecular Formula | C389H243N19O10S3 |
| Molecular Weight | 5439.55 g/mol |
| Exact Mass | 5434.83 |
| IUPAC Name | 8-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-5a,6a,7,8,9,10,10a,10b-octahydro-[1]benzofuro[2,3-b]indole;8-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;7-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;7-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole |
| SMILES | c1ccc(-n2c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc3c3c4ccccc4oc32)cc1.c1ccc(-n2c3cc(-c4cccc5c6c7ccccc7oc6n(-c6ccccc6)c45)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.c1ccc(-n2c3ccc(-c4cccc5c6c7ccccc7oc6n(-c6ccccc6)c45)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3oc4ccccc4c3c3cccc(-c4ccc5c(c4)sc4cc(-n6c7ccccc7c7ccccc76)ccc45)c32)cc1.c1ccc(-n2c3oc4ccccc4c3c3cccc(-c4ccc5sc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)c32)cc1.c1ccc(-n2c3oc4ccccc4c3c3cccc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c32)cc1.c1ccc(N2C3CC(c4ccc5c(c4)oc4cc(-n6c7ccccc7c7ccccc76)ccc45)CCC3C3c4ccccc4OC32)cc1.c1ccc(N2c3ccc(-c4cccc5c6c7ccccc7oc6n(-c6ccccc6)c45)cc3C3(c4ccccc4-c4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1 |
| InChI | InChI=1S/C63H39N3O.2C50H31N3O.C50H30N2OS.C44H34N2O2.C44H26N2O2.2C44H26N2OS/c1-3-18-41(19-4-1)64-57-36-34-40(44-27-17-28-50-60-49-26-11-16-33-59(49)67-62(60)66(61(44)50)42-20-5-2-6-21-42)38-53(57)63(51-29-12-7-22-45(51)46-23-8-13-30-52(46)63)54-39-43(35-37-58(54)64)65-55-31-14-9-24-47(55)48-25-10-15-32-56(48)65;1-3-14-33(15-4-1)51-45-30-32(36-21-13-22-42-48-41-20-9-12-25-47(41)54-50(48)53(49(36)42)34-16-5-2-6-17-34)26-28-39(45)40-29-27-35(31-46(40)51)52-43-23-10-7-18-37(43)38-19-8-11-24-44(38)52;1-3-14-33(15-4-1)51-45-28-26-32(30-41(45)42-31-35(27-29-46(42)51)52-43-23-10-7-18-37(43)38-19-8-11-24-44(38)52)36-21-13-22-40-48-39-20-9-12-25-47(39)54-50(48)53(49(36)40)34-16-5-2-6-17-34;1-2-11-34(12-3-1)52-49-36(16-10-17-40(49)48-39-15-6-9-20-45(39)53-50(48)52)33-24-28-47-42(30-33)41-29-32(23-27-46(41)54-47)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)38-14-5-8-19-44(38)51;1-2-10-29(11-3-1)46-39-24-27(19-22-35(39)43-36-14-6-9-17-40(36)48-44(43)46)28-18-21-33-34-23-20-30(26-42(34)47-41(33)25-28)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45;1-2-10-29(11-3-1)46-39-25-28(18-21-33(39)43-34-14-6-9-17-40(34)48-44(43)46)27-19-22-41-35(24-27)36-26-30(20-23-42(36)47-41)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45;1-2-11-28(12-3-1)46-43-30(16-10-17-36(43)42-35-15-6-9-20-39(35)47-44(42)46)27-21-23-33-34-24-22-29(26-41(34)48-40(33)25-27)45-37-18-7-4-13-31(37)32-14-5-8-19-38(32)45;1-2-11-28(12-3-1)46-43-30(16-10-17-34(43)42-33-15-6-9-20-39(33)47-44(42)46)27-21-23-40-35(25-27)36-26-29(22-24-41(36)48-40)45-37-18-7-4-13-31(37)32-14-5-8-19-38(32)45/h1-39H;2*1-31H;1-30H;1-18,20-21,23,25-27,35,39,43-44H,19,22,24H2;3*1-26H |
| InChIKey | PTLSOGNFDPXJIA-UHFFFAOYSA-N |
| XLogP | 106.03 |
| TPSA | 217.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 421 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5439.55 |
| LogP ≤ 5 | 106.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |