C235H173N23Si — CID 157075520
3-tert-butyl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole;[2-[3-[9-(4-tert-butylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-trimethylsilane;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-3-yl]-6-methyl-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-methyl-6-phenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 157075520) has the molecular formula C235H173N23Si and a molecular weight of 3347.22 g/mol. Its IUPAC name is 3-tert-butyl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole;[2-[3-[9-(4-tert-butylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-trimethylsilane;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-3-yl]-6-methyl-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-methyl-6-phenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
| Compound Name | 3-tert-butyl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole;[2-[3-[9-(4-tert-butylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-trimethylsilane;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-3-yl]-6-methyl-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-methyl-6-phenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157075520 |
| Molecular Formula | C235H173N23Si |
| Molecular Weight | 3347.22 g/mol |
| Exact Mass | 3344.40 |
| IUPAC Name | 3-tert-butyl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole;[2-[3-[9-(4-tert-butylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-trimethylsilane;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-3-yl]-6-methyl-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-methyl-6-phenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1.CC(C)(C)c1ccnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nccc([Si](C)(C)C)n4)ccc32)n1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1n2-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)cc1 |
| InChI | InChI=1S/C55H41N5.C52H35N5.C47H33N5.C42H28N2.C39H36N6Si/c1-55(2,3)42-27-31-49-47(35-42)46-34-40(25-28-48(46)59(49)43-22-14-7-15-23-43)41-26-30-51-45(33-41)44-32-39(36-16-8-4-9-17-36)24-29-50(44)60(51)54-57-52(37-18-10-5-11-19-37)56-53(58-54)38-20-12-6-13-21-38;1-56-46-26-22-38(34-14-6-2-7-15-34)30-42(46)43-32-40(23-27-47(43)56)41-25-29-49-45(33-41)44-31-39(35-16-8-3-9-17-35)24-28-48(44)57(49)52-54-50(36-18-10-4-11-19-36)53-51(55-52)37-20-12-5-13-21-37;1-30-18-22-41-37(26-30)39-28-34(20-24-42(39)51(41)36-16-10-5-11-17-36)35-21-25-44-40(29-35)38-27-31(2)19-23-43(38)52(44)47-49-45(32-12-6-3-7-13-32)48-46(50-47)33-14-8-4-9-15-33;1-3-11-33(12-4-1)43-39-17-9-7-15-35(39)37-27-31(23-25-41(37)43)29-19-21-30(22-20-29)32-24-26-42-38(28-32)36-16-8-10-18-40(36)44(42)34-13-5-2-6-14-34;1-39(2,3)35-19-21-40-37(42-35)44-31-13-9-7-11-27(31)29-23-25(15-17-33(29)44)26-16-18-34-30(24-26)28-12-8-10-14-32(28)45(34)38-41-22-20-36(43-38)46(4,5)6/h4-35H,1-3H3;2-33H,1H3;3-29H,1-2H3;1-28H;7-24H,1-6H3 |
| InChIKey | ACXUUPMXALHOKG-UHFFFAOYSA-N |
| XLogP | 58.85 |
| TPSA | 216.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 259 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3347.22 |
| LogP ≤ 5 | 58.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|