C240H179N9Si5 — CID 161414386
[6-(3,6-dimethylcarbazol-9-yl)-9H-fluoren-3-yl]-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-diphenylsilane;[6-(2,5-diphenylimidazol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;[6-(2,3-diphenylindol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;triphenyl-[6-(2-phenylbenzimidazol-1-yl)-9H-fluoren-3-yl]silane;triphenyl-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]silane (PubChem CID 161414386) has the molecular formula C240H179N9Si5 and a molecular weight of 3329.56 g/mol. Its IUPAC name is [6-(3,6-dimethylcarbazol-9-yl)-9H-fluoren-3-yl]-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-diphenylsilane;[6-(2,5-diphenylimidazol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;[6-(2,3-diphenylindol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;triphenyl-[6-(2-phenylbenzimidazol-1-yl)-9H-fluoren-3-yl]silane;triphenyl-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]silane.
| Compound Name | [6-(3,6-dimethylcarbazol-9-yl)-9H-fluoren-3-yl]-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-diphenylsilane;[6-(2,5-diphenylimidazol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;[6-(2,3-diphenylindol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;triphenyl-[6-(2-phenylbenzimidazol-1-yl)-9H-fluoren-3-yl]silane;triphenyl-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]silane |
|---|---|
| PubChem CID | 161414386 |
| Molecular Formula | C240H179N9Si5 |
| Molecular Weight | 3329.56 g/mol |
| Exact Mass | 3326.31 |
| IUPAC Name | [6-(3,6-dimethylcarbazol-9-yl)-9H-fluoren-3-yl]-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-diphenylsilane;[6-(2,5-diphenylimidazol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;[6-(2,3-diphenylindol-1-yl)-9H-fluoren-3-yl]-triphenylsilane;triphenyl-[6-(2-phenylbenzimidazol-1-yl)-9H-fluoren-3-yl]silane;triphenyl-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]silane |
| SMILES | Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)-c2cc(-n4c5ccc(C)cc5c5cc(C)ccc54)ccc2C3)c1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c(c3)-c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3C4)c3ccccc23)cc1.c1ccc(-c2cnc(-c3ccccc3)n2-c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2C3)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2C3)cc1.c1ccc(-c2nccn2-c2ccc3c(c2)-c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2C3)cc1 |
| InChI | InChI=1S/C59H46N2Si.C51H37NSi.C46H34N2Si.C44H32N2Si.C40H30N2Si/c1-38-18-26-56-52(30-38)53-31-39(2)19-27-57(53)60(56)44-12-11-17-48(35-44)62(46-13-7-5-8-14-46,47-15-9-6-10-16-47)49-25-23-43-34-42-22-24-45(36-50(42)51(43)37-49)61-58-28-20-40(3)32-54(58)55-33-41(4)21-29-59(55)61;1-6-18-37(19-7-1)50-46-28-16-17-29-49(46)52(51(50)38-20-8-2-9-21-38)41-32-30-39-34-40-31-33-45(36-48(40)47(39)35-41)53(42-22-10-3-11-23-42,43-24-12-4-13-25-43)44-26-14-5-15-27-44;1-6-16-34(17-7-1)45-33-47-46(35-18-8-2-9-19-35)48(45)38-28-26-36-30-37-27-29-42(32-44(37)43(36)31-38)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-5-15-32(16-6-1)44-45-42-23-13-14-24-43(42)46(44)35-27-25-33-29-34-26-28-39(31-41(34)40(33)30-35)47(36-17-7-2-8-18-36,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-5-13-30(14-6-1)40-41-25-26-42(40)33-23-21-31-27-32-22-24-37(29-39(32)38(31)28-33)43(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h5-33,35-37H,34H2,1-4H3;1-33,35-36H,34H2;1-29,31-33H,30H2;1-28,30-31H,29H2;1-26,28-29H,27H2 |
| InChIKey | VVWRGRWBOHFZHN-UHFFFAOYSA-N |
| XLogP | 44.26 |
| TPSA | 68.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3329.56 |
| LogP ≤ 5 | 44.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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