bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene

C124H136F18O4SSi2 — CID 160851279

IUPACbis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
SMILESCc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2cccc(C)c2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/2C19H18F6.C18H18F6Si.C18H24Si.2C17H20O.C16H18O2S/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18(20,21)22,19(23,24)25)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)25(17(19,20)21,18(22,23)24)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h3*5-10H,1-4H3;7-12H,1-6H3;2*5-10,17-18H,1-4H3;5-10H,1-4H3
InChIKeySJHGURVZBNGKKS-UHFFFAOYSA-N
MW2120.65 g/mol
LogP32.85
Rot. Bonds14

About bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene

bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene (PubChem CID 160851279) has the molecular formula C124H136F18O4SSi2 and a molecular weight of 2120.65 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene.

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
PubChem CID160851279
Molecular FormulaC124H136F18O4SSi2
Molecular Weight2120.65 g/mol
Exact Mass2118.94
IUPAC Namebis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
SMILESCc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2cccc(C)c2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/2C19H18F6.C18H18F6Si.C18H24Si.2C17H20O.C16H18O2S/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18(20,21)22,19(23,24)25)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)25(17(19,20)21,18(22,23)24)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h3*5-10H,1-4H3;7-12H,1-6H3;2*5-10,17-18H,1-4H3;5-10H,1-4H3
InChIKeySJHGURVZBNGKKS-UHFFFAOYSA-N
XLogP32.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002120.65
LogP ≤ 532.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene with MolForge

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Related Compounds

bis(bis(3,4-dimethylphenyl)-dimethylsilane);bis(3,4-dimethylphenyl)methanol;[4-(3,4-dimethylbenzoyl)phenyl]-(3,4-dimethylphenyl)methanone;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;N-(3,4-dimethylphenyl)-3,4-dimethylbenzamide;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;methane
CID 157311590
bis(3,4-dimethylphenyl)methanol;bis(3,4-dimethylphenyl)methanone;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;1-[2-(3,4-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)sulfonyl-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
CID 158413503
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
4-[2-[4-[2-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenyl]ethyl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 146371641
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 134525177
bis(bis(3,4-dimethylphenyl)-dimethylsilane);bis(3,4-dimethylphenyl)methanol;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;N-(2,4-dimethylphenyl)-3,4-dimethylbenzamide;N-(3,4-dimethylphenyl)-3,4-dimethylbenzamide;N-(3,5-dimethylphenyl)-3,4-dimethylbenzamide;(3,4-dimethylphenyl)-(3,5-dimethylphenyl)-dimethylsilane;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methanol;(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanol
CID 159911759
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
CID 142774744
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?
The IUPAC name of bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene (CID 160851279) is bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene.
What is the SMILES notation for bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?
The canonical SMILES for bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene is Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2cccc(C)c2C)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?
The InChIKey is SJHGURVZBNGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18F6.C18H18F6Si.C18H24Si.2C17H20O.C16H18O2S/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18(20,21)22,19(23,24)25)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)25(17(19,20)21,18(22,23)24)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h3*5-10H,1-4H3;7-12H,1-6H3;2*5-10,17-18H,1-4H3;5-10H,1-4H3.
What are the key properties of bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene?
bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene has a molecular weight of 2120.65 g/mol, XLogP of 32.85, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)-bis(trifluoromethyl)silane;bis(3,4-dimethylphenyl)-dimethylsilane;bis(3,4-dimethylphenyl)methanol;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanol;1-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,3-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene is sourced from PubChem (CID 160851279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).