C281H296N16Si — CID 160545873
azane;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-methylcarbazol-3-yl]carbazole;3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-methylcarbazole;methane;4-methyl-N,N-bis(4-methylphenyl)aniline;tris(9-methylcarbazole);4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;methyl(triphenyl)silane;toluene;1,4-xylene (PubChem CID 160545873) has the molecular formula C281H296N16Si and a molecular weight of 3925.66 g/mol. Its IUPAC name is azane;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-methylcarbazol-3-yl]carbazole;3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-methylcarbazole;methane;4-methyl-N,N-bis(4-methylphenyl)aniline;tris(9-methylcarbazole);4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;methyl(triphenyl)silane;toluene;1,4-xylene.
| Compound Name | azane;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-methylcarbazol-3-yl]carbazole;3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-methylcarbazole;methane;4-methyl-N,N-bis(4-methylphenyl)aniline;tris(9-methylcarbazole);4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;methyl(triphenyl)silane;toluene;1,4-xylene |
|---|---|
| PubChem CID | 160545873 |
| Molecular Formula | C281H296N16Si |
| Molecular Weight | 3925.66 g/mol |
| Exact Mass | 3922.34 |
| IUPAC Name | azane;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-methylcarbazol-3-yl]carbazole;3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-methylphenyl]carbazole;3,6-ditert-butyl-9-methylcarbazole;methane;4-methyl-N,N-bis(4-methylphenyl)aniline;tris(9-methylcarbazole);4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;methyl(triphenyl)silane;toluene;1,4-xylene |
| SMILES | C.C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.Cc1ccc(C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccccc1.Cn1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21.Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.N.N.N |
| InChI | InChI=1S/C53H57N3.C47H54N2.2C23H19N.C21H27N.C21H21N.C19H17N.C19H18Si.3C13H11N.C8H10.C7H8.CH4.3H3N/c1-50(2,3)32-14-20-46-38(26-32)39-27-33(51(4,5)6)15-21-47(39)55(46)36-18-24-44-42(30-36)43-31-37(19-25-45(43)54(44)13)56-48-22-16-34(52(7,8)9)28-40(48)41-29-35(53(10,11)12)17-23-49(41)56;1-29-22-34(48-40-18-14-30(44(2,3)4)24-36(40)37-25-31(45(5,6)7)15-19-41(37)48)28-35(23-29)49-42-20-16-32(46(8,9)10)26-38(42)39-27-33(47(11,12)13)17-21-43(39)49;1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23;1-18-11-14-22(15-12-18)24(21-9-3-2-4-10-21)23-16-13-19-7-5-6-8-20(19)17-23;1-20(2,3)14-8-10-18-16(12-14)17-13-15(21(4,5)6)9-11-19(17)22(18)7;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;3*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;;;;/h14-31H,1-13H3;14-28H,1-13H3;2*2-17H,1H3;8-13H,1-7H3;4-15H,1-3H3;2-15H,1H3;2-16H,1H3;3*2-9H,1H3;3-6H,1-2H3;2-6H,1H3;1H4;3*1H3 |
| InChIKey | VPOVAJPPRYIIII-UHFFFAOYSA-N |
| XLogP | 77.01 |
| TPSA | 162.33 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3925.66 |
| LogP ≤ 5 | 77.01 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 16 |