C344H220N14OS — CID 157221259
4-(10-dibenzofuran-2-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(10-dibenzothiophen-3-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole;9-phenyl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole (PubChem CID 157221259) has the molecular formula C344H220N14OS and a molecular weight of 4597.71 g/mol. Its IUPAC name is 4-(10-dibenzofuran-2-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(10-dibenzothiophen-3-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole;9-phenyl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole.
| Compound Name | 4-(10-dibenzofuran-2-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(10-dibenzothiophen-3-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole;9-phenyl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole |
|---|---|
| PubChem CID | 157221259 |
| Molecular Formula | C344H220N14OS |
| Molecular Weight | 4597.71 g/mol |
| Exact Mass | 4593.73 |
| IUPAC Name | 4-(10-dibenzofuran-2-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(10-dibenzothiophen-3-yltriphenylen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-naphthalen-2-yl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole;9-phenyl-2-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]triphenylen-2-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)c34)ccc21.c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccc%10ccccc%10c9)c8c7)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)nc(-c4ccccc4)n3)cc2)cc1 |
| InChI | InChI=1S/C65H42N2.C62H39N3.C58H37N3.C55H38N2.C52H32N2O.C52H32N2S/c1-5-18-43(19-6-1)44-32-34-45(35-33-44)61-42-62(67-64(66-61)46-20-7-2-8-21-46)56-30-17-29-54-51-26-13-14-27-52(51)57-40-47(36-38-55(57)63(54)56)48-37-39-60-58(41-48)53-28-15-16-31-59(53)65(60,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-3-14-40(15-4-1)42-26-28-43(29-27-42)57-39-58(64-62(63-57)44-17-5-2-6-18-44)55-24-13-23-53-49-20-9-10-21-50(49)56-37-46(32-35-54(56)61(53)55)47-31-34-52-51-22-11-12-25-59(51)65(60(52)38-47)48-33-30-41-16-7-8-19-45(41)36-48;1-4-15-38(16-5-1)39-27-29-40(30-28-39)53-37-54(60-58(59-53)41-17-6-2-7-18-41)51-25-14-24-49-45-21-10-11-22-46(45)52-35-42(32-34-50(52)57(49)51)43-31-33-48-47-23-12-13-26-55(47)61(56(48)36-43)44-19-8-3-9-20-44;1-55(2)49-23-12-11-20-43(49)48-33-40(29-31-50(48)55)39-28-30-45-47(32-39)42-19-10-9-18-41(42)44-21-13-22-46(53(44)45)52-34-51(56-54(57-52)38-16-7-4-8-17-38)37-26-24-36(25-27-37)35-14-5-3-6-15-35;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)44-20-11-19-42-39-16-7-8-17-40(39)45-30-37(26-28-43(45)51(42)44)38-27-29-50-46(31-38)41-18-9-10-21-49(41)55-50;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)45-20-11-19-43-39-16-7-8-17-40(39)46-30-37(27-29-44(46)51(43)45)38-26-28-42-41-18-9-10-21-49(41)55-50(42)31-38/h1-42H;1-39H;1-37H;3-34H,1-2H3;2*1-32H |
| InChIKey | ATAAXJMLDQOPRH-UHFFFAOYSA-N |
| XLogP | 91.91 |
| TPSA | 177.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 360 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4597.71 |
| LogP ≤ 5 | 91.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |