C130H85N13 — CID 157422186
9-[4-carbazol-9-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 157422186) has the molecular formula C130H85N13 and a molecular weight of 1829.20 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole.
| Compound Name | 9-[4-carbazol-9-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole |
|---|---|
| PubChem CID | 157422186 |
| Molecular Formula | C130H85N13 |
| Molecular Weight | 1829.20 g/mol |
| Exact Mass | 1827.71 |
| IUPAC Name | 9-[4-carbazol-9-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)c3)n2)cc1 |
| InChI | InChI=1S/C47H31N3.C45H29N5.C38H25N5/c1-3-15-32(16-4-1)42-29-35(30-43(48-42)33-17-5-2-6-18-33)34-27-36(49-44-23-11-7-19-38(44)39-20-8-12-24-45(39)49)31-37(28-34)50-46-25-13-9-21-40(46)41-22-10-14-26-47(41)50;1-3-15-30(16-4-1)32-27-33(31-17-5-2-6-18-31)29-34(28-32)43-46-44(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)48-45(47-43)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50;1-3-12-26(13-4-1)36-40-37(27-14-5-2-6-15-27)42-38(41-36)29-17-11-16-28(24-29)30-22-23-35(39-25-30)43-33-20-9-7-18-31(33)32-19-8-10-21-34(32)43/h1-31H;1-29H;1-25H |
| InChIKey | BPNRSYUDHWIQJG-UHFFFAOYSA-N |
| XLogP | 32.38 |
| TPSA | 127.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1829.20 |
| LogP ≤ 5 | 32.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |