C132H84N6 — CID 164975300
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole (PubChem CID 164975300) has the molecular formula C132H84N6 and a molecular weight of 1754.17 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole.
| Compound Name | 9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 164975300 |
| Molecular Formula | C132H84N6 |
| Molecular Weight | 1754.17 g/mol |
| Exact Mass | 1752.68 |
| IUPAC Name | 9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole |
| SMILES | c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)ccc2c1 |
| InChI | InChI=1S/3C44H28N2/c1-3-15-33-29(11-1)13-9-21-39(33)45-41-19-7-5-17-35(41)37-27-31(23-25-43(37)45)32-24-26-44-38(28-32)36-18-6-8-20-42(36)46(44)40-22-10-14-30-12-2-4-16-34(30)40;1-3-11-31-25-35(21-17-29(31)9-1)45-41-15-7-5-13-37(41)39-27-33(19-23-43(39)45)34-20-24-44-40(28-34)38-14-6-8-16-42(38)46(44)36-22-18-30-10-2-4-12-32(30)26-36;1-2-12-31-26-34(23-20-29(31)10-1)45-41-17-7-5-15-36(41)38-27-32(21-24-43(38)45)33-22-25-44-39(28-33)37-16-6-8-18-42(37)46(44)40-19-9-13-30-11-3-4-14-35(30)40/h3*1-28H |
| InChIKey | DRRVXVWUELGSIH-UHFFFAOYSA-N |
| XLogP | 35.56 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 138 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1754.17 |
| LogP ≤ 5 | 35.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |