C136H87N9 — CID 157218905
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 157218905) has the molecular formula C136H87N9 and a molecular weight of 1847.26 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 157218905 |
| Molecular Formula | C136H87N9 |
| Molecular Weight | 1847.26 g/mol |
| Exact Mass | 1845.71 |
| IUPAC Name | 3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole |
| SMILES | c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c2)cc1.c1ccc2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc2c1 |
| InChI | InChI=1S/C48H31N3.C46H29N3.C42H27N3/c1-2-13-32(14-3-1)33-15-12-16-34(29-33)49-45-23-10-6-19-39(45)41-31-36(26-27-47(41)49)51-46-24-11-7-20-40(46)42-30-35(25-28-48(42)51)50-43-21-8-4-17-37(43)38-18-5-9-22-44(38)50;1-2-12-31-27-32(22-21-30(31)11-1)47-43-19-9-5-15-37(43)39-29-34(24-25-45(39)47)49-44-20-10-6-16-38(44)40-28-33(23-26-46(40)49)48-41-17-7-3-13-35(41)36-14-4-8-18-42(36)48;1-6-19-37-31(14-1)32-15-2-7-20-38(32)43(37)28-12-11-13-29(26-28)44-41-23-10-5-18-35(41)36-27-30(24-25-42(36)44)45-39-21-8-3-16-33(39)34-17-4-9-22-40(34)45/h1-31H;1-29H;1-27H |
| InChIKey | ASTCGJHCGVPKMA-UHFFFAOYSA-N |
| XLogP | 35.75 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 145 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1847.26 |
| LogP ≤ 5 | 35.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |