C242H167N7O3SSi3 — CID 157220854
bis(2-methylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-phenylcarbazole;3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;triphenyl-(4-triphenylsilylphenyl)silane (PubChem CID 157220854) has the molecular formula C242H167N7O3SSi3 and a molecular weight of 3337.37 g/mol. Its IUPAC name is bis(2-methylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-phenylcarbazole;3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;triphenyl-(4-triphenylsilylphenyl)silane.
| Compound Name | bis(2-methylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-phenylcarbazole;3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;triphenyl-(4-triphenylsilylphenyl)silane |
|---|---|
| PubChem CID | 157220854 |
| Molecular Formula | C242H167N7O3SSi3 |
| Molecular Weight | 3337.37 g/mol |
| Exact Mass | 3334.22 |
| IUPAC Name | bis(2-methylphenyl)-diphenylsilane;9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-phenylcarbazole;3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;triphenyl-(4-triphenylsilylphenyl)silane |
| SMILES | Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1C.c1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccc9oc%10ccccc%10c9c8)c7)ccc65)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)cc6c5c4)c3)c2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1 |
| InChI | InChI=1S/C48H29NO2.C48H31NO.C42H27N3.C42H34Si2.C36H22N2S.C26H24Si/c1-2-9-30(10-3-1)33-18-22-47-41(27-33)42-29-36(20-24-48(42)51-47)49-43-15-6-4-13-37(43)39-26-34(17-21-44(39)49)31-11-8-12-32(25-31)35-19-23-46-40(28-35)38-14-5-7-16-45(38)50-46;1-3-11-32(12-4-1)34-15-9-16-35(27-34)36-17-10-18-37(28-36)39-22-25-47-43(30-39)44-31-40(23-26-48(44)50-47)49-45-20-8-7-19-41(45)42-29-38(21-24-46(42)49)33-13-5-2-6-14-33;1-2-12-28(13-3-1)43-41-24-22-29(44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44)26-35(41)36-27-30(23-25-42(36)43)45-39-20-10-6-16-33(39)34-17-7-11-21-40(34)45;1-7-19-35(20-8-1)43(36-21-9-2-10-22-36,37-23-11-3-12-24-37)41-31-33-42(34-32-41)44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38;1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h1-29H;1-31H;1-27H;1-34H;1-22H;3-20H,1-2H3 |
| InChIKey | ASYYUEPJFNABEV-UHFFFAOYSA-N |
| XLogP | 56.28 |
| TPSA | 73.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3337.37 |
| LogP ≤ 5 | 56.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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