C135H88N12 — CID 161062041
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole (PubChem CID 161062041) has the molecular formula C135H88N12 and a molecular weight of 1878.27 g/mol. Its IUPAC name is 9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole.
| Compound Name | 9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole |
|---|---|
| PubChem CID | 161062041 |
| Molecular Formula | C135H88N12 |
| Molecular Weight | 1878.27 g/mol |
| Exact Mass | 1876.73 |
| IUPAC Name | 9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/2C49H32N4.C37H24N4/c1-3-17-33(18-4-1)35-21-7-11-27-41(35)47-50-48(42-28-12-8-22-36(42)34-19-5-2-6-20-34)52-49(51-47)43-31-32-46(38-24-10-9-23-37(38)43)53-44-29-15-13-25-39(44)40-26-14-16-30-45(40)53;1-3-15-33(16-4-1)35-19-13-21-37(31-35)47-50-48(38-22-14-20-36(32-38)34-17-5-2-6-18-34)52-49(51-47)43-29-30-46(40-24-8-7-23-39(40)43)53-44-27-11-9-25-41(44)42-26-10-12-28-45(42)53;1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)31-23-24-34(28-18-8-7-17-27(28)31)41-32-21-11-9-19-29(32)30-20-10-12-22-33(30)41/h2*1-32H;1-24H |
| InChIKey | UDNHJYNGXDRZKO-UHFFFAOYSA-N |
| XLogP | 34.04 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1878.27 |
| LogP ≤ 5 | 34.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |