C255H162N12O3S2 — CID 161290833
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 161290833) has the molecular formula C255H162N12O3S2 and a molecular weight of 3506.32 g/mol. Its IUPAC name is 11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
| Compound Name | 11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 161290833 |
| Molecular Formula | C255H162N12O3S2 |
| Molecular Weight | 3506.32 g/mol |
| Exact Mass | 3503.23 |
| IUPAC Name | 11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)ccc21.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1 |
| InChI | InChI=1S/C45H32N2.3C42H26N2O.2C42H26N2S/c1-45(2)39-17-9-6-14-33(39)36-26-30(22-25-40(36)45)29-20-23-32(24-21-29)47-42-19-11-8-16-35(42)38-27-43-37(28-44(38)47)34-15-7-10-18-41(34)46(43)31-12-4-3-5-13-31;1-2-11-28(12-3-1)43-37-18-7-4-13-31(37)35-26-40-36(25-39(35)43)32-14-5-8-19-38(32)44(40)29-23-21-27(22-24-29)30-16-10-17-34-33-15-6-9-20-41(33)45-42(30)34;1-2-11-28(12-3-1)43-36-17-7-4-13-31(36)34-26-39-35(25-38(34)43)32-14-5-8-18-37(32)44(39)29-23-21-27(22-24-29)30-16-10-20-41-42(30)33-15-6-9-19-40(33)45-41;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-26-40-35(25-39(34)43)32-13-5-8-16-38(32)44(40)30-21-18-27(19-22-30)28-20-23-42-36(24-28)33-14-6-9-17-41(33)45-42;1-2-11-28(12-3-1)43-37-18-7-4-13-31(37)35-26-40-36(25-39(35)43)32-14-5-8-19-38(32)44(40)29-23-21-27(22-24-29)30-16-10-17-34-33-15-6-9-20-41(33)45-42(30)34;1-2-11-28(12-3-1)43-36-17-7-4-13-31(36)34-26-39-35(25-38(34)43)32-14-5-8-18-37(32)44(39)29-23-21-27(22-24-29)30-16-10-20-41-42(30)33-15-6-9-19-40(33)45-41/h3-28H,1-2H3;5*1-26H |
| InChIKey | VGHZJHRTUULGMU-UHFFFAOYSA-N |
| XLogP | 70.03 |
| TPSA | 98.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 272 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3506.32 |
| LogP ≤ 5 | 70.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |