C182H118N18 — CID 159364512
6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole (PubChem CID 159364512) has the molecular formula C182H118N18 and a molecular weight of 2557.07 g/mol. Its IUPAC name is 6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole.
| Compound Name | 6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole |
|---|---|
| PubChem CID | 159364512 |
| Molecular Formula | C182H118N18 |
| Molecular Weight | 2557.07 g/mol |
| Exact Mass | 2554.98 |
| IUPAC Name | 6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c56)cc4c4cccnc43)cc2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C47H31N3.3C45H29N5/c1-3-12-32(13-4-1)34-23-26-37(27-24-34)50-45-28-25-36(31-43(45)42-21-11-29-48-47(42)50)39-19-10-20-41-40-18-7-8-22-44(40)49(46(39)41)38-17-9-16-35(30-38)33-14-5-2-6-15-33;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-45(47-39)50-41-24-11-10-20-35(41)36-22-12-21-34(43(36)50)32-25-26-42-38(28-32)37-23-13-27-46-44(37)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)39-29-42(48-44(47-39)31-16-6-2-7-17-31)50-40-24-11-10-20-35(40)36-22-12-21-34(43(36)50)32-25-26-41-38(28-32)37-23-13-27-46-45(37)49(41)33-18-8-3-9-19-33;1-4-14-30(15-5-1)42-41(29-47-44(48-42)31-16-6-2-7-17-31)50-39-24-11-10-20-35(39)36-22-12-21-34(43(36)50)32-25-26-40-38(28-32)37-23-13-27-46-45(37)49(40)33-18-8-3-9-19-33/h1-31H;3*1-29H |
| InChIKey | LIYNPEHPHMKIAH-UHFFFAOYSA-N |
| XLogP | 45.48 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2557.07 |
| LogP ≤ 5 | 45.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |