C234H162N10Si4 — CID 163989524
[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane (PubChem CID 163989524) has the molecular formula C234H162N10Si4 and a molecular weight of 3226.28 g/mol. Its IUPAC name is [3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane.
| Compound Name | [3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane |
|---|---|
| PubChem CID | 163989524 |
| Molecular Formula | C234H162N10Si4 |
| Molecular Weight | 3226.28 g/mol |
| Exact Mass | 3223.21 |
| IUPAC Name | [3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)c2)cc1 |
| InChI | InChI=1S/2C60H41N3Si.C60H42N2Si.C54H38N2Si/c1-4-20-45(21-5-1)64(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-26-18-19-42(39-48)61-57-33-16-12-29-51(57)53-41-44(36-37-59(53)61)63-58-34-17-13-30-52(58)54-40-43(35-38-60(54)63)62-55-31-14-10-27-49(55)50-28-11-15-32-56(50)62;1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-36-32-42(33-37-48)61-57-30-16-12-26-51(57)53-41-44(34-38-59(53)61)63-58-31-17-13-27-52(58)54-40-43(35-39-60(54)63)62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62;1-6-18-43(19-7-1)45-30-37-58-54(40-45)55-41-46(44-20-8-2-9-21-44)31-38-59(55)62(58)48-34-39-60-56(42-48)53-28-16-17-29-57(53)61(60)47-32-35-52(36-33-47)63(49-22-10-3-11-23-49,50-24-12-4-13-25-50)51-26-14-5-15-27-51;1-5-19-40(20-6-1)55-51-33-16-14-30-48(51)54-46(31-18-34-53(54)55)39-35-36-52-49(37-39)47-29-13-15-32-50(47)56(52)41-21-17-28-45(38-41)57(42-22-7-2-8-23-42,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h2*1-41H;1-42H;1-38H |
| InChIKey | TZJLVYKEUDSNOP-UHFFFAOYSA-N |
| XLogP | 48.23 |
| TPSA | 49.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 248 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3226.28 |
| LogP ≤ 5 | 48.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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