C155H104N14 — CID 163738924
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;9-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 163738924) has the molecular formula C155H104N14 and a molecular weight of 2162.63 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;9-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;9-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 163738924 |
| Molecular Formula | C155H104N14 |
| Molecular Weight | 2162.63 g/mol |
| Exact Mass | 2160.86 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;9-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole |
| SMILES | c1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccccc54)c3)N=C(c3ccccc3)N2)cc1 |
| InChI | InChI=1S/C45H29N5.C41H27N3.C36H24N2.C33H24N4/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50;1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1-29H;1-27H;1-24H;1-22,33H,(H,34,35,36) |
| InChIKey | LGBGJKYZBCHSPY-UHFFFAOYSA-N |
| XLogP | 38.50 |
| TPSA | 122.82 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2162.63 |
| LogP ≤ 5 | 38.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |