C401H243N19O12S — CID 167606136
3-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole (PubChem CID 167606136) has the molecular formula C401H243N19O12S and a molecular weight of 5551.54 g/mol. Its IUPAC name is 3-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole.
| Compound Name | 3-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole |
|---|---|
| PubChem CID | 167606136 |
| Molecular Formula | C401H243N19O12S |
| Molecular Weight | 5551.54 g/mol |
| Exact Mass | 5546.87 |
| IUPAC Name | 3-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole |
| SMILES | c1ccc(-n2c3cc(-c4cccc5c4oc4c5c5ccccc5n4-c4ccccc4)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.c1ccc(-n2c3ccc(-c4cccc5c4oc4c5c5ccccc5n4-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)oc5cc(-n7c8ccccc8c8ccccc87)ccc56)cc4oc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6oc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c6c5)cc4oc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4oc32)cc1.c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6sc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c6c5)c4oc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)oc5c6c6ccccc6n5-c5ccccc5)c5oc6ccccc6c45)ccc32)cc1.c1ccc(N2c3ccc(-c4cccc5c4oc4c5c5ccccc5n4-c4ccccc4)cc3C3(c4ccccc4-c4ccccc43)c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1 |
| InChI | InChI=1S/C63H39N3O.2C50H31N3O.2C50H30N2O2.C50H30N2OS.2C44H26N2O2/c1-3-18-41(19-4-1)64-58-36-34-40(44-27-17-28-50-60-49-26-11-16-33-57(49)66(62(60)67-61(44)50)42-20-5-2-6-21-42)38-53(58)63(51-29-12-7-22-45(51)46-23-8-13-30-52(46)63)54-39-43(35-37-59(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)51-46-30-32(36-21-13-22-42-48-41-20-9-12-25-45(41)53(50(48)54-49(36)42)34-16-5-2-6-17-34)26-28-39(46)40-29-27-35(31-47(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)51-46-28-26-32(30-41(46)42-31-35(27-29-47(42)51)52-43-23-10-7-18-37(43)38-19-8-11-24-44(38)52)36-21-13-22-40-48-39-20-9-12-25-45(39)53(50(48)54-49(36)40)34-16-5-2-6-17-34;1-3-13-33(14-4-1)51-42-20-10-7-17-37(42)41-29-31(24-28-44(41)51)35-26-27-36(49-47(35)39-19-9-12-22-45(39)53-49)32-23-25-40-46(30-32)54-50-48(40)38-18-8-11-21-43(38)52(50)34-15-5-2-6-16-34;1-2-10-35(11-3-1)52-45-17-9-6-14-39(45)49-40-25-20-34(30-48(40)54-50(49)52)33-22-27-47-42(29-33)41-28-32(21-26-46(41)53-47)31-18-23-36(24-19-31)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51;1-2-11-34(12-3-1)52-45-20-9-6-15-39(45)48-40-17-10-16-36(49(40)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)46-39-17-9-6-14-33(39)43-34-21-18-28(25-42(34)48-44(43)46)27-19-22-40-35(24-27)36-26-30(20-23-41(36)47-40)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45;1-2-10-29(11-3-1)46-39-17-9-6-14-35(39)43-36-22-19-28(25-41(36)48-44(43)46)27-18-21-33-34-23-20-30(26-42(34)47-40(33)24-27)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-39H;2*1-31H;3*1-30H;2*1-26H |
| InChIKey | KKFIVSVSGUHGLB-UHFFFAOYSA-N |
| XLogP | 109.66 |
| TPSA | 249.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 433 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5551.54 |
| LogP ≤ 5 | 109.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |