C128H84N6 — CID 167695725
5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 167695725) has the molecular formula C128H84N6 and a molecular weight of 1706.12 g/mol. Its IUPAC name is 5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole.
| Compound Name | 5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 167695725 |
| Molecular Formula | C128H84N6 |
| Molecular Weight | 1706.12 g/mol |
| Exact Mass | 1704.68 |
| IUPAC Name | 5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.c1ccc2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc6ccccc6c5)c34)ccc2c1 |
| InChI | InChI=1S/C48H32N2.C42H28N2.C38H24N2/c1-4-15-33(16-5-1)36-21-14-22-39(28-36)49-45-25-12-10-23-41(45)43-32-48-44(31-47(43)49)42-24-11-13-26-46(42)50(48)40-29-37(34-17-6-2-7-18-34)27-38(30-40)35-19-8-3-9-20-35;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-18-10-8-16-37(39)41-40(43)28-27-36-35-15-7-9-17-38(35)44(42(36)41)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-27-23-29(19-17-25(27)9-1)39-35-16-8-6-14-33(35)37-36(39)22-21-32-31-13-5-7-15-34(31)40(38(32)37)30-20-18-26-10-2-4-12-28(26)24-30/h1-32H;1-28H;1-24H |
| InChIKey | XPZWYBOFMWUXNL-UHFFFAOYSA-N |
| XLogP | 34.28 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 134 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1706.12 |
| LogP ≤ 5 | 34.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |