C330H197N27O7SSe — CID 160636997
7-(3-carbazol-9-ylphenyl)-5-[4-(10-phenyl-9H-acridin-9-yl)pyrimidin-2-yl]indolo[2,3-b]carbazole;7-(3-dibenzofuran-2-ylphenyl)-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;7-[3-(6-dibenzofuran-2-yl-2-pyridinyl)phenyl]-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;5-(4-dibenzofuran-2-ylpyrimidin-2-yl)-7-[3,5-di(dibenzofuran-2-yl)phenyl]indolo[2,3-b]carbazole;5-(4-dibenzoselenophen-2-ylpyrimidin-2-yl)-7-(3-phenylphenyl)indolo[2,3-b]carbazole;7-(2-dibenzothiophen-2-ylpyrimidin-4-yl)-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole (PubChem CID 160636997) has the molecular formula C330H197N27O7SSe and a molecular weight of 4763.41 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-5-[4-(10-phenyl-9H-acridin-9-yl)pyrimidin-2-yl]indolo[2,3-b]carbazole;7-(3-dibenzofuran-2-ylphenyl)-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;7-[3-(6-dibenzofuran-2-yl-2-pyridinyl)phenyl]-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;5-(4-dibenzofuran-2-ylpyrimidin-2-yl)-7-[3,5-di(dibenzofuran-2-yl)phenyl]indolo[2,3-b]carbazole;5-(4-dibenzoselenophen-2-ylpyrimidin-2-yl)-7-(3-phenylphenyl)indolo[2,3-b]carbazole;7-(2-dibenzothiophen-2-ylpyrimidin-4-yl)-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole.
| Compound Name | 7-(3-carbazol-9-ylphenyl)-5-[4-(10-phenyl-9H-acridin-9-yl)pyrimidin-2-yl]indolo[2,3-b]carbazole;7-(3-dibenzofuran-2-ylphenyl)-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;7-[3-(6-dibenzofuran-2-yl-2-pyridinyl)phenyl]-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;5-(4-dibenzofuran-2-ylpyrimidin-2-yl)-7-[3,5-di(dibenzofuran-2-yl)phenyl]indolo[2,3-b]carbazole;5-(4-dibenzoselenophen-2-ylpyrimidin-2-yl)-7-(3-phenylphenyl)indolo[2,3-b]carbazole;7-(2-dibenzothiophen-2-ylpyrimidin-4-yl)-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 160636997 |
| Molecular Formula | C330H197N27O7SSe |
| Molecular Weight | 4763.41 g/mol |
| Exact Mass | 4760.48 |
| IUPAC Name | 7-(3-carbazol-9-ylphenyl)-5-[4-(10-phenyl-9H-acridin-9-yl)pyrimidin-2-yl]indolo[2,3-b]carbazole;7-(3-dibenzofuran-2-ylphenyl)-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;7-[3-(6-dibenzofuran-2-yl-2-pyridinyl)phenyl]-5-(4-dibenzofuran-2-ylpyrimidin-2-yl)indolo[2,3-b]carbazole;5-(4-dibenzofuran-2-ylpyrimidin-2-yl)-7-[3,5-di(dibenzofuran-2-yl)phenyl]indolo[2,3-b]carbazole;5-(4-dibenzoselenophen-2-ylpyrimidin-2-yl)-7-(3-phenylphenyl)indolo[2,3-b]carbazole;7-(2-dibenzothiophen-2-ylpyrimidin-4-yl)-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole |
| SMILES | c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nccc(-c6ccc7oc8ccccc8c7c6)n5)c4cc32)c1.c1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)n2)cc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nccc(-c6ccc7oc8ccccc8c7c6)n5)c4cc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccnc(-c7ccc8sc9ccccc9c8c7)n6)c5cc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nccc(-c7ccc8[se]c9ccccc9c8c7)n6)c5cc43)c2)cc1.c1ccc(N2c3ccccc3C(c3ccnc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6cc54)n3)c3ccccc32)cc1.c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nccc(-c8ccc9oc%10ccccc%10c9c8)n7)c6cc54)c3)cc12 |
| InChI | InChI=1S/C64H36N4O3.C59H38N6.C57H33N5O2.C52H30N4O2.C52H32N4S.C46H28N4Se/c1-6-16-54-43(11-1)48-35-49-44-12-2-7-17-55(44)68(64-65-28-27-53(66-64)39-23-26-63-52(34-39)47-15-5-10-20-60(47)71-63)57(49)36-56(48)67(54)42-30-40(37-21-24-61-50(32-37)45-13-3-8-18-58(45)69-61)29-41(31-42)38-22-25-62-51(33-38)46-14-4-9-19-59(46)70-62;1-2-17-38(18-3-1)62-54-31-14-8-25-45(54)58(46-26-9-15-32-55(46)62)49-33-34-60-59(61-49)65-53-30-13-7-24-44(53)48-36-47-43-23-6-12-29-52(43)64(56(47)37-57(48)65)40-20-16-19-39(35-40)63-50-27-10-4-21-41(50)42-22-5-11-28-51(42)63;1-5-19-49-38(13-1)42-32-43-39-14-2-6-20-50(39)62(57-58-28-27-48(60-57)36-24-26-56-45(31-36)41-16-4-8-22-54(41)64-56)52(43)33-51(42)61(49)37-12-9-11-34(29-37)46-17-10-18-47(59-46)35-23-25-55-44(30-35)40-15-3-7-21-53(40)63-55;1-5-16-44-35(12-1)39-29-40-36-13-2-6-17-45(36)56(52-53-25-24-43(54-52)33-21-23-51-42(28-33)38-15-4-8-19-49(38)58-51)47(40)30-46(39)55(44)34-11-9-10-31(26-34)32-20-22-50-41(27-32)37-14-3-7-18-48(37)57-50;1-3-13-33(14-4-1)36-27-37(34-15-5-2-6-16-34)29-38(28-36)55-45-20-10-7-17-39(45)42-31-43-40-18-8-11-21-46(40)56(48(43)32-47(42)55)51-25-26-53-52(54-51)35-23-24-50-44(30-35)41-19-9-12-22-49(41)57-50;1-2-11-29(12-3-1)30-13-10-14-32(25-30)49-40-18-7-4-15-33(40)36-27-37-34-16-5-8-19-41(34)50(43(37)28-42(36)49)46-47-24-23-39(48-46)31-21-22-45-38(26-31)35-17-6-9-20-44(35)51-45/h1-36H;1-37,58H;1-33H;1-30H;1-32H;1-28H |
| InChIKey | RIQWQLBBUATRSM-UHFFFAOYSA-N |
| XLogP | 86.18 |
| TPSA | 326.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 366 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4763.41 |
| LogP ≤ 5 | 86.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |