C182H132N8O4Si4 — CID 165041569
[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane (PubChem CID 165041569) has the molecular formula C182H132N8O4Si4 and a molecular weight of 2607.45 g/mol. Its IUPAC name is [3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane.
| Compound Name | [3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 165041569 |
| Molecular Formula | C182H132N8O4Si4 |
| Molecular Weight | 2607.45 g/mol |
| Exact Mass | 2604.94 |
| IUPAC Name | [3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccc5nc6n(c5c4)-c4ccccc4CO6)c3)c2)cc1.c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccc5nc6n(c5c4)-c4ccccc4CO6)c3)c2)cc1.c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccc5nc6n(c5c4)-c4ccccc4CO6)c3)c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4nc5n(c4c3)-c3ccccc3CO5)c2)cc1 |
| InChI | InChI=1S/2C50H36N2OSi.C44H32N2OSi.C38H28N2OSi/c1-5-16-36(17-6-1)41-30-42(37-18-7-2-8-19-37)33-46(32-41)54(43-22-9-3-10-23-43,44-24-11-4-12-25-44)45-26-15-21-38(31-45)39-28-29-47-49(34-39)52-48-27-14-13-20-40(48)35-53-50(52)51-47;1-5-16-36(17-6-1)38-21-15-26-45(31-38)54(43-22-9-3-10-23-43,44-24-11-4-12-25-44)46-32-41(37-18-7-2-8-19-37)30-42(33-46)39-28-29-47-49(34-39)52-48-27-14-13-20-40(48)35-53-50(52)51-47;1-4-14-32(15-5-1)33-17-12-23-39(28-33)48(37-19-6-2-7-20-37,38-21-8-3-9-22-38)40-24-13-18-34(29-40)35-26-27-41-43(30-35)46-42-25-11-10-16-36(42)31-47-44(46)45-41;1-4-15-31(16-5-1)42(32-17-6-2-7-18-32,33-19-8-3-9-20-33)34-21-12-14-28(25-34)29-23-24-35-37(26-29)40-36-22-11-10-13-30(36)27-41-38(40)39-35/h2*1-34H,35H2;1-30H,31H2;1-26H,27H2 |
| InChIKey | OFDJXBGJLBQTPE-UHFFFAOYSA-N |
| XLogP | 32.18 |
| TPSA | 108.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2607.45 |
| LogP ≤ 5 | 32.18 |
| 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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