C174H111N11O — CID 162123659
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole (PubChem CID 162123659) has the molecular formula C174H111N11O and a molecular weight of 2371.88 g/mol. Its IUPAC name is 9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole.
| Compound Name | 9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 162123659 |
| Molecular Formula | C174H111N11O |
| Molecular Weight | 2371.88 g/mol |
| Exact Mass | 2369.90 |
| IUPAC Name | 9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3c2ccc2c4cc(-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c32)cc1 |
| InChI | InChI=1S/C48H31N3.2C42H27N3.C42H26N2O/c1-4-14-34(15-5-1)49-42-22-12-10-20-37(42)40-30-32(24-27-44(40)49)33-25-28-45-41(31-33)38-26-29-46-47(48(38)51(45)36-18-8-3-9-19-36)39-21-11-13-23-43(39)50(46)35-16-6-2-7-17-35;1-3-13-28(14-4-1)43-38-22-12-9-19-34(38)41-40(43)26-24-33-35-27-30(23-25-39(35)45(42(33)41)29-15-5-2-6-16-29)44-36-20-10-7-17-31(36)32-18-8-11-21-37(32)44;1-2-12-28(13-3-1)45-38-20-10-6-16-33(38)34-26-27-40-41(42(34)45)35-17-7-11-21-39(35)44(40)30-24-22-29(23-25-30)43-36-18-8-4-14-31(36)32-15-5-9-19-37(32)43;1-3-12-28(13-4-1)43-36-20-9-7-17-34(36)40-38(43)25-23-32-35-26-27(22-24-37(35)44(41(32)40)29-14-5-2-6-15-29)30-18-11-19-33-31-16-8-10-21-39(31)45-42(30)33/h1-31H;2*1-27H;1-26H |
| InChIKey | ZHSZPSSTAASNQD-UHFFFAOYSA-N |
| XLogP | 46.05 |
| TPSA | 67.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2371.88 |
| LogP ≤ 5 | 46.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |