C181H134N6Si2 — CID 164972870
2-carbazol-9-yl-9,9-diphenyl-10-(2-phenylphenyl)-7-tritylacridine;[9-[9,9-dimethyl-10-(3-phenylphenyl)acridin-2-yl]carbazol-2-yl]-triphenylsilane;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-(4-phenylphenyl)benzo[b][1,4]benzazasiline (PubChem CID 164972870) has the molecular formula C181H134N6Si2 and a molecular weight of 2449.28 g/mol. Its IUPAC name is 2-carbazol-9-yl-9,9-diphenyl-10-(2-phenylphenyl)-7-tritylacridine;[9-[9,9-dimethyl-10-(3-phenylphenyl)acridin-2-yl]carbazol-2-yl]-triphenylsilane;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-(4-phenylphenyl)benzo[b][1,4]benzazasiline.
| Compound Name | 2-carbazol-9-yl-9,9-diphenyl-10-(2-phenylphenyl)-7-tritylacridine;[9-[9,9-dimethyl-10-(3-phenylphenyl)acridin-2-yl]carbazol-2-yl]-triphenylsilane;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-(4-phenylphenyl)benzo[b][1,4]benzazasiline |
|---|---|
| PubChem CID | 164972870 |
| Molecular Formula | C181H134N6Si2 |
| Molecular Weight | 2449.28 g/mol |
| Exact Mass | 2447.02 |
| IUPAC Name | 2-carbazol-9-yl-9,9-diphenyl-10-(2-phenylphenyl)-7-tritylacridine;[9-[9,9-dimethyl-10-(3-phenylphenyl)acridin-2-yl]carbazol-2-yl]-triphenylsilane;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-(4-phenylphenyl)benzo[b][1,4]benzazasiline |
| SMILES | CC1(C)c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccc(-n3c4ccccc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc43)cc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc43)cc21.c1ccc(-c2ccccc2N2c3ccc(-n4c5ccccc5c5ccccc54)cc3C(c3ccccc3)(c3ccccc3)c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C68H48N2.C57H44N2Si.C56H42N2Si/c1-7-25-49(26-8-1)57-37-19-22-40-62(57)70-65-45-43-55(67(50-27-9-2-10-28-50,51-29-11-3-12-30-51)52-31-13-4-14-32-52)47-60(65)68(53-33-15-5-16-34-53,54-35-17-6-18-36-54)61-48-56(44-46-66(61)70)69-63-41-23-20-38-58(63)59-39-21-24-42-64(59)69;1-57(2)51-31-16-18-33-54(51)59(43-23-19-22-42(38-43)41-20-7-3-8-21-41)55-37-34-44(39-52(55)57)58-53-32-17-15-30-49(53)50-36-35-48(40-56(50)58)60(45-24-9-4-10-25-45,46-26-11-5-12-27-46)47-28-13-6-14-29-47;1-59(2)55-25-15-14-24-52(55)57(45-30-26-41(27-31-45)39-16-6-3-7-17-39)53-35-32-46(38-56(53)59)58-51-23-13-12-22-48(51)49-34-29-44(37-54(49)58)50-36-43(40-18-8-4-9-19-40)28-33-47(50)42-20-10-5-11-21-42/h1-48H;3-40H,1-2H3;3-38H,1-2H3 |
| InChIKey | DJEGCOLXGJGGCF-UHFFFAOYSA-N |
| XLogP | 42.99 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2449.28 |
| LogP ≤ 5 | 42.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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