C279H191N11O2SSi5 — CID 160702748
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane (PubChem CID 160702748) has the molecular formula C279H191N11O2SSi5 and a molecular weight of 3902.17 g/mol. Its IUPAC name is [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane.
| Compound Name | [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
|---|---|
| PubChem CID | 160702748 |
| Molecular Formula | C279H191N11O2SSi5 |
| Molecular Weight | 3902.17 g/mol |
| Exact Mass | 3898.37 |
| IUPAC Name | [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3cc21.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)c4)ccc32)cc1 |
| InChI | InChI=1S/C60H41N3Si.C57H42N2Si.2C54H36N2OSi.C54H36N2SSi/c1-5-20-42(21-6-1)61-55-33-16-13-30-49(55)52-39-48(36-37-58(52)61)64(45-25-9-3-10-26-45,46-27-11-4-12-28-46)47-29-19-24-44(38-47)63-57-35-18-15-32-51(57)54-40-53-50-31-14-17-34-56(50)62(59(53)41-60(54)63)43-22-7-2-8-23-43;1-57(2)51-30-15-12-27-45(51)48-37-50-47-29-14-17-32-54(47)59(56(50)38-52(48)57)40-21-18-26-43(35-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-34-55-49(36-44)46-28-13-16-31-53(46)58(55)39-19-6-3-7-20-39;1-4-17-37(18-5-1)55-48-28-13-11-26-44(48)47-36-42(31-33-50(47)55)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-19-38(35-41)56-49-29-14-10-25-43(49)45-32-34-52-53(54(45)56)46-27-12-15-30-51(46)57-52;2*1-4-17-37(18-5-1)55-49-28-13-10-25-43(49)46-34-42(31-32-51(46)55)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-19-38(33-41)56-50-29-14-11-26-44(50)47-35-48-45-27-12-15-30-53(45)57-54(48)36-52(47)56/h1-41H;3-38H,1-2H3;3*1-36H |
| InChIKey | RQVGPAPQIXYRFQ-UHFFFAOYSA-N |
| XLogP | 57.86 |
| TPSA | 80.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3902.17 |
| LogP ≤ 5 | 57.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |