C175H142N6O3P4SSi3 — CID 160950760
2,8-bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;[3-[7,7-diphenyl-5-(3-trimethylsilylphenyl)-3,4-dihydrocyclopenta[a]pentalen-2-yl]phenyl]-trimethylsilane (PubChem CID 160950760) has the molecular formula C175H142N6O3P4SSi3 and a molecular weight of 2617.32 g/mol. Its IUPAC name is 2,8-bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;[3-[7,7-diphenyl-5-(3-trimethylsilylphenyl)-3,4-dihydrocyclopenta[a]pentalen-2-yl]phenyl]-trimethylsilane.
| Compound Name | 2,8-bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;[3-[7,7-diphenyl-5-(3-trimethylsilylphenyl)-3,4-dihydrocyclopenta[a]pentalen-2-yl]phenyl]-trimethylsilane |
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| PubChem CID | 160950760 |
| Molecular Formula | C175H142N6O3P4SSi3 |
| Molecular Weight | 2617.32 g/mol |
| Exact Mass | 2614.91 |
| IUPAC Name | 2,8-bis(diphenylphosphoryl)dibenzothiophene;2-[1,1-dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;[3-[7,7-diphenyl-5-(3-trimethylsilylphenyl)-3,4-dihydrocyclopenta[a]pentalen-2-yl]phenyl]-trimethylsilane |
| SMILES | C[Si](C)(C)c1cccc(C2=CC3=C(C2)C2=C(C=C(c4cccc([Si](C)(C)C)c4)C2)C3(c2ccccc2)c2ccccc2)c1.C[Si]1(C)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3c2c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C41H42Si2.C38H30N4Si.C36H26O2P2S.C36H28OP2.C24H16N2/c1-42(2,3)35-21-13-15-29(23-35)31-25-37-38-26-32(30-16-14-22-36(24-30)43(4,5)6)28-40(38)41(39(37)27-31,33-17-9-7-10-18-33)34-19-11-8-12-20-34;1-43(2)37(33-23-13-21-31(41-33)29-19-9-11-25-39-29)35(27-15-5-3-6-16-27)36(28-17-7-4-8-18-28)38(43)34-24-14-22-32(42-34)30-20-10-12-26-40-30;37-39(27-13-5-1-6-14-27,28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)41-35)40(38,29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h7-24,27-28H,25-26H2,1-6H3;3-26H,1-2H3;1-26H;1-28H;1-16H |
| InChIKey | SVSNOJKMVXUZEI-UHFFFAOYSA-N |
| XLogP | 39.01 |
| TPSA | 120.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 192 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2617.32 |
| LogP ≤ 5 | 39.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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