C206H184N4OS3Si3 — CID 158347545
2,5-bis(4-methylphenyl)-3,4-diphenylthiophene;2,5-bis(4-methylphenyl)-1,1,3,4-tetraphenylsilole;2,5-bis(4-methylphenyl)thiophene;1,1-dimethyl-2,5-bis(4-methylphenyl)-3,4-diphenylsilole;2-[1,1-dimethyl-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-5-methylpyridine;2-methyl-6-[6-methyl-4-(4-methylphenyl)-2-pyridinyl]-4-(4-methylphenyl)pyridine;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene (PubChem CID 158347545) has the molecular formula C206H184N4OS3Si3 and a molecular weight of 2912.22 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-3,4-diphenylthiophene;2,5-bis(4-methylphenyl)-1,1,3,4-tetraphenylsilole;2,5-bis(4-methylphenyl)thiophene;1,1-dimethyl-2,5-bis(4-methylphenyl)-3,4-diphenylsilole;2-[1,1-dimethyl-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-5-methylpyridine;2-methyl-6-[6-methyl-4-(4-methylphenyl)-2-pyridinyl]-4-(4-methylphenyl)pyridine;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene.
| Compound Name | 2,5-bis(4-methylphenyl)-3,4-diphenylthiophene;2,5-bis(4-methylphenyl)-1,1,3,4-tetraphenylsilole;2,5-bis(4-methylphenyl)thiophene;1,1-dimethyl-2,5-bis(4-methylphenyl)-3,4-diphenylsilole;2-[1,1-dimethyl-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-5-methylpyridine;2-methyl-6-[6-methyl-4-(4-methylphenyl)-2-pyridinyl]-4-(4-methylphenyl)pyridine;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene |
|---|---|
| PubChem CID | 158347545 |
| Molecular Formula | C206H184N4OS3Si3 |
| Molecular Weight | 2912.22 g/mol |
| Exact Mass | 2909.29 |
| IUPAC Name | 2,5-bis(4-methylphenyl)-3,4-diphenylthiophene;2,5-bis(4-methylphenyl)-1,1,3,4-tetraphenylsilole;2,5-bis(4-methylphenyl)thiophene;1,1-dimethyl-2,5-bis(4-methylphenyl)-3,4-diphenylsilole;2-[1,1-dimethyl-5-(5-methyl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-5-methylpyridine;2-methyl-6-[6-methyl-4-(4-methylphenyl)-2-pyridinyl]-4-(4-methylphenyl)pyridine;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene |
| SMILES | Cc1ccc(-c2cc(C)nc(-c3cc(-c4ccc(C)cc4)cc(C)n3)c2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1.Cc1ccc(-c2sc(-c3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(C)cc3)[Si]2(C)C)cc1.Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(C)cc3)[Si]2(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(C)cn3)[Si]2(C)C)nc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1 |
| InChI | InChI=1S/C42H34Si.C32H30Si.C30H28N2Si.C30H24S.C26H24N2.C18H16S.C14H14O.C14H14S/c1-31-23-27-35(28-24-31)41-39(33-15-7-3-8-16-33)40(34-17-9-4-10-18-34)42(36-29-25-32(2)26-30-36)43(41,37-19-11-5-12-20-37)38-21-13-6-14-22-38;1-23-15-19-27(20-16-23)31-29(25-11-7-5-8-12-25)30(26-13-9-6-10-14-26)32(33(31,3)4)28-21-17-24(2)18-22-28;1-21-15-17-25(31-19-21)29-27(23-11-7-5-8-12-23)28(24-13-9-6-10-14-24)30(33(29,3)4)26-18-16-22(2)20-32-26;1-21-13-17-25(18-14-21)29-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)30(31-29)26-19-15-22(2)16-20-26;1-17-5-9-21(10-6-17)23-13-19(3)27-25(15-23)26-16-24(14-20(4)28-26)22-11-7-18(2)8-12-22;1-13-3-7-15(8-4-13)17-11-12-18(19-17)16-9-5-14(2)6-10-16;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-30H,1-2H3;5-22H,1-4H3;5-20H,1-4H3;3-20H,1-2H3;5-16H,1-4H3;3-12H,1-2H3;2*3-10H,1-2H3 |
| InChIKey | GRXMSXBGCVBWJX-UHFFFAOYSA-N |
| XLogP | 55.22 |
| TPSA | 60.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2912.22 |
| LogP ≤ 5 | 55.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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