C187H113N21OS2 — CID 157475634
5-dibenzofuran-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-2-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole (PubChem CID 157475634) has the molecular formula C187H113N21OS2 and a molecular weight of 2734.24 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-2-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole.
| Compound Name | 5-dibenzofuran-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-2-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 157475634 |
| Molecular Formula | C187H113N21OS2 |
| Molecular Weight | 2734.24 g/mol |
| Exact Mass | 2731.89 |
| IUPAC Name | 5-dibenzofuran-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-2-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-dibenzothiophen-3-yl-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc3c2c2ccccc2n3-c2cccc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncncn3)ccc12.c1ccc2c(c1)sc1cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncncn3)ccc12.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncncn3)cc12 |
| InChI | InChI=1S/C46H29N3.C42H27N3.C33H19N5O.2C33H19N5S/c1-2-16-31(17-3-1)47-39-22-9-6-19-33(39)36-29-45-37(28-44(36)47)34-20-7-10-23-40(34)49(45)43-27-13-26-42-46(43)35-21-8-11-24-41(35)48(42)38-25-12-15-30-14-4-5-18-32(30)38;1-3-14-28(15-4-1)43-37-23-12-9-20-32(37)42-38(43)24-13-25-39(42)45-36-22-11-8-19-31(36)34-26-40-33(27-41(34)45)30-18-7-10-21-35(30)44(40)29-16-5-2-6-17-29;1-4-10-27-21(7-1)25-17-30-26(22-8-2-5-11-28(22)38(30)33-35-18-34-19-36-33)16-29(25)37(27)20-13-14-24-23-9-3-6-12-31(23)39-32(24)15-20;1-4-10-27-21(7-1)24-17-30-25(22-8-2-5-11-28(22)38(30)33-35-18-34-19-36-33)16-29(24)37(27)20-13-14-32-26(15-20)23-9-3-6-12-31(23)39-32;1-4-10-27-21(7-1)25-17-30-26(22-8-2-5-11-28(22)38(30)33-35-18-34-19-36-33)16-29(25)37(27)20-13-14-24-23-9-3-6-12-31(23)39-32(24)15-20/h1-29H;1-27H;3*1-19H |
| InChIKey | BVODJAPZNOMSOL-UHFFFAOYSA-N |
| XLogP | 47.94 |
| TPSA | 188.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 211 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2734.24 |
| LogP ≤ 5 | 47.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |