C131H84N12 — CID 165105451
9-[5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (PubChem CID 165105451) has the molecular formula C131H84N12 and a molecular weight of 1826.20 g/mol. Its IUPAC name is 9-[5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.
| Compound Name | 9-[5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole |
|---|---|
| PubChem CID | 165105451 |
| Molecular Formula | C131H84N12 |
| Molecular Weight | 1826.20 g/mol |
| Exact Mass | 1824.69 |
| IUPAC Name | 9-[5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc(-n6c7ccccc7c7ccccc76)cc5c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c(-n6c7ccccc7c7ccccc76)cccc45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4cc(-n5c6ccccc6c6ccccc65)ccc34)n2)cc1 |
| InChI | InChI=1S/C47H30N4.C43H28N4.C41H26N4/c1-2-13-31(14-3-1)34-17-10-18-35(29-34)45-48-46(36-28-27-32-15-4-5-16-33(32)30-36)50-47(49-45)41-23-11-22-38-37(41)21-12-26-44(38)51-42-24-8-6-19-39(42)40-20-7-9-25-43(40)51;1-3-11-29(12-4-1)30-19-22-33(23-20-30)42-44-41(32-13-5-2-6-14-32)45-43(46-42)34-24-21-31-25-26-36(28-35(31)27-34)47-39-17-9-7-15-37(39)38-16-8-10-18-40(38)47;1-2-13-28(14-3-1)39-42-40(35-20-10-15-27-12-4-5-17-31(27)35)44-41(43-39)36-21-11-16-29-26-30(24-25-32(29)36)45-37-22-8-6-18-33(37)34-19-7-9-23-38(34)45/h1-30H;1-28H;1-26H |
| InChIKey | ZATJNDJFYJIUJG-UHFFFAOYSA-N |
| XLogP | 33.01 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1826.20 |
| LogP ≤ 5 | 33.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |