C218H154N12Si — CID 163943164
3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 163943164) has the molecular formula C218H154N12Si and a molecular weight of 2969.80 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 163943164 |
| Molecular Formula | C218H154N12Si |
| Molecular Weight | 2969.80 g/mol |
| Exact Mass | 2967.22 |
| IUPAC Name | 3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole |
| SMILES | CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2ccccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c3c2)cc1 |
| InChI | InChI=1S/C66H45N3Si.C56H47N3.2C48H31N3/c1-4-23-49(24-5-1)70(50-25-6-2-7-26-50,51-27-8-3-9-28-51)52-40-41-58-56-32-13-18-37-63(56)68(66(58)45-52)47-22-20-21-46(43-47)53-29-10-15-34-60(53)69-64-38-19-14-33-57(64)59-44-48(39-42-65(59)69)67-61-35-16-11-30-54(61)55-31-12-17-36-62(55)67;1-55(2,3)37-26-29-52-45(33-37)46-34-38(56(4,5)6)27-30-53(46)57(52)39-17-15-16-36(32-39)41-18-7-11-22-48(41)59-51-25-14-10-21-44(51)47-35-40(28-31-54(47)59)58-49-23-12-8-19-42(49)43-20-9-13-24-50(43)58;1-7-23-40(34(17-1)32-15-13-16-33(31-32)49-41-24-8-2-18-35(41)36-19-3-9-25-42(36)49)50-45-28-12-6-22-39(45)48-46(50)29-14-30-47(48)51-43-26-10-4-20-37(43)38-21-5-11-27-44(38)51;1-7-22-42(35(16-1)32-14-13-15-33(30-32)49-43-23-8-2-17-36(43)37-18-3-9-24-44(37)49)51-47-27-12-6-21-40(47)41-31-34(28-29-48(41)51)50-45-25-10-4-19-38(45)39-20-5-11-26-46(39)50/h1-45H;7-35H,1-6H3;2*1-31H |
| InChIKey | RSUMNWBPYOHSCF-UHFFFAOYSA-N |
| XLogP | 54.55 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 231 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2969.80 |
| LogP ≤ 5 | 54.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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