C153H99N11 — CID 165034391
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-(3,5-diphenylphenyl)-2-pyridinyl]carbazole (PubChem CID 165034391) has the molecular formula C153H99N11 and a molecular weight of 2091.55 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-(3,5-diphenylphenyl)-2-pyridinyl]carbazole.
| Compound Name | 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-(3,5-diphenylphenyl)-2-pyridinyl]carbazole |
|---|---|
| PubChem CID | 165034391 |
| Molecular Formula | C153H99N11 |
| Molecular Weight | 2091.55 g/mol |
| Exact Mass | 2089.81 |
| IUPAC Name | 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]carbazole;9-[6-carbazol-9-yl-4-(3,5-diphenylphenyl)-2-pyridinyl]carbazole |
| SMILES | c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1 |
| InChI | InChI=1S/2C53H34N4.C47H31N3/c1-7-25-48-40(19-1)41-20-2-8-26-49(41)55(48)37-17-13-15-35(31-37)46-33-39(57-52-29-11-5-23-44(52)45-24-6-12-30-53(45)57)34-47(54-46)36-16-14-18-38(32-36)56-50-27-9-3-21-42(50)43-22-4-10-28-51(43)56;1-7-19-48-40(13-1)41-14-2-8-20-49(41)55(48)37-29-25-35(26-30-37)46-33-39(57-52-23-11-5-17-44(52)45-18-6-12-24-53(45)57)34-47(54-46)36-27-31-38(32-28-36)56-50-21-9-3-15-42(50)43-16-4-10-22-51(43)56;1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)37-30-46(49-42-23-11-7-19-38(42)39-20-8-12-24-43(39)49)48-47(31-37)50-44-25-13-9-21-40(44)41-22-10-14-26-45(41)50/h2*1-34H;1-31H |
| InChIKey | NDRQDSJJXILBIN-UHFFFAOYSA-N |
| XLogP | 39.69 |
| TPSA | 78.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2091.55 |
| LogP ≤ 5 | 39.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |