C267H184N12SSi2 — CID 158245607
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-methylphenyl)-3-[9-(3-methylphenyl)carbazol-3-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane (PubChem CID 158245607) has the molecular formula C267H184N12SSi2 and a molecular weight of 3648.73 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-methylphenyl)-3-[9-(3-methylphenyl)carbazol-3-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane.
| Compound Name | 3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-methylphenyl)-3-[9-(3-methylphenyl)carbazol-3-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane |
|---|---|
| PubChem CID | 158245607 |
| Molecular Formula | C267H184N12SSi2 |
| Molecular Weight | 3648.73 g/mol |
| Exact Mass | 3645.40 |
| IUPAC Name | 3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-methylphenyl)-3-[9-(3-methylphenyl)carbazol-3-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane |
| SMILES | Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C)c4)ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6sc6ccccc67)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/2C54H38N2Si.C48H30N2S.C38H28N2.C37H26N2.C36H24N2/c1-6-18-41(19-7-1)55-51-29-17-16-28-47(51)49-36-39(30-34-52(49)55)40-31-35-53-50(37-40)48-33-32-46(38-54(48)56(53)42-20-8-2-9-21-42)57(43-22-10-3-11-23-43,44-24-12-4-13-25-44)45-26-14-5-15-27-45;1-5-18-41(19-6-1)55-51-30-15-13-28-47(51)49-36-39(32-34-53(49)55)40-33-35-54-50(37-40)48-29-14-16-31-52(48)56(54)42-20-17-27-46(38-42)57(43-21-7-2-8-22-43,44-23-9-3-10-24-44)45-25-11-4-12-26-45;1-3-12-34(13-4-1)49-43-20-9-7-16-37(43)40-28-31(22-25-44(40)49)32-23-26-45-41(29-32)42-30-33(24-27-46(42)50(45)35-14-5-2-6-15-35)36-18-11-19-39-38-17-8-10-21-47(38)51-48(36)39;1-25-9-7-11-29(21-25)39-35-15-5-3-13-31(35)33-23-27(17-19-37(33)39)28-18-20-38-34(24-28)32-14-4-6-16-36(32)40(38)30-12-8-10-26(2)22-30;1-25-10-9-13-29(22-25)39-35-17-8-6-15-31(35)33-24-27(19-21-37(33)39)26-18-20-36-32(23-26)30-14-5-7-16-34(30)38(36)28-11-3-2-4-12-28;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h2*1-38H;1-30H;3-24H,1-2H3;2-24H,1H3;1-24H |
| InChIKey | GGBSDXOCBVSQON-UHFFFAOYSA-N |
| XLogP | 65.00 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 282 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3648.73 |
| LogP ≤ 5 | 65.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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