C294H190N30 — CID 157101209
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (PubChem CID 157101209) has the molecular formula C294H190N30 and a molecular weight of 4142.96 g/mol. Its IUPAC name is 2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.
| Compound Name | 2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole |
|---|---|
| PubChem CID | 157101209 |
| Molecular Formula | C294H190N30 |
| Molecular Weight | 4142.96 g/mol |
| Exact Mass | 4139.58 |
| IUPAC Name | 2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(7,8-dihydronaphthalen-1-yl)-6-naphthalen-1-ylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole |
| SMILES | C1=Cc2cccc(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)c2CC1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccn3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccncc5)nc(-c5ccncc5)n4)cc32)cc1 |
| InChI | InChI=1S/C58H38N4.C54H36N4.C49H31N5.2C45H29N5.C43H27N7/c1-4-16-39(17-5-1)41-20-14-22-45(34-41)52-38-53(46-23-15-21-42(35-46)40-18-6-2-7-19-40)60-58(59-52)62-55-29-13-11-27-49(55)51-36-43(31-33-56(51)62)44-30-32-50-48-26-10-12-28-54(48)61(57(50)37-44)47-24-8-3-9-25-47;1-2-18-39(19-3-1)57-50-26-10-8-22-44(50)46-30-28-38(33-53(46)57)37-29-31-52-47(32-37)45-23-9-11-27-51(45)58(52)54-55-48(42-24-12-16-35-14-4-6-20-40(35)42)34-49(56-54)43-25-13-17-36-15-5-7-21-41(36)43;1-3-15-33(16-4-1)47-50-48(34-17-5-2-6-18-34)52-49(51-47)54-44-24-12-10-22-39(44)41-30-35(27-29-45(41)54)36-26-28-40-38-21-9-11-23-43(38)53(46(40)31-36)42-25-13-19-32-14-7-8-20-37(32)42;1-3-13-30(14-4-1)45-47-39(38-19-11-12-26-46-38)29-44(48-45)50-41-21-10-8-18-35(41)37-27-31(23-25-42(37)50)32-22-24-36-34-17-7-9-20-40(34)49(43(36)28-32)33-15-5-2-6-16-33;1-3-11-31(12-4-1)45-47-39(30-23-25-46-26-24-30)29-44(48-45)50-41-18-10-8-16-36(41)38-27-32(20-22-42(38)50)33-19-21-37-35-15-7-9-17-40(35)49(43(37)28-33)34-13-5-2-6-14-34;1-2-8-32(9-3-1)49-37-12-6-4-10-33(37)35-16-14-31(27-40(35)49)30-15-17-39-36(26-30)34-11-5-7-13-38(34)50(39)43-47-41(28-18-22-44-23-19-28)46-42(48-43)29-20-24-45-25-21-29/h1-38H;1-6,8-20,22-34H,7,21H2;1-31H;2*1-29H;1-27H |
| InChIKey | AFTZATJWHVVUHN-UHFFFAOYSA-N |
| XLogP | 73.00 |
| TPSA | 291.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 324 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4142.96 |
| LogP ≤ 5 | 73.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |