C120H80N6 — CID 160597289
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 160597289) has the molecular formula C120H80N6 and a molecular weight of 1606.00 g/mol. Its IUPAC name is 5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole.
| Compound Name | 5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 160597289 |
| Molecular Formula | C120H80N6 |
| Molecular Weight | 1606.00 g/mol |
| Exact Mass | 1604.64 |
| IUPAC Name | 5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/2C42H28N2.C36H24N2/c1-4-14-29(15-5-1)31-24-32(30-16-6-2-7-17-30)26-34(25-31)44-40-23-13-11-21-36(40)38-27-41-37(28-42(38)44)35-20-10-12-22-39(35)43(41)33-18-8-3-9-19-33;1-3-13-29(14-4-1)31-17-11-19-33(25-31)43-39-23-9-7-21-35(39)37-28-42-38(27-41(37)43)36-22-8-10-24-40(36)44(42)34-20-12-18-32(26-34)30-15-5-2-6-16-30;1-3-12-25(13-4-1)26-14-11-17-28(22-26)38-34-21-10-8-19-30(34)32-23-35-31(24-36(32)38)29-18-7-9-20-33(29)37(35)27-15-5-2-6-16-27/h2*1-28H;1-24H |
| InChIKey | RDUKPBMIPUUJKF-UHFFFAOYSA-N |
| XLogP | 31.98 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 126 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1606.00 |
| LogP ≤ 5 | 31.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |