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

C195H231N3O9Si3 — CID 159911759

IUPACbis(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
SMILESCc1cc(C)cc(C(O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc(NC(=O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc([Si](C)(C)c2ccc(C)c(C)c2)c1.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C)c(C(O)c2ccc(C)c(C)c2)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C22H22O2.3C18H24Si.3C17H19NO.4C17H20O/c1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;2*1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-9-14(2)11-18(10-13)19(5,6)17-8-7-15(3)16(4)12-17;1-11-5-8-16(14(4)9-11)18-17(19)15-7-6-12(2)13(3)10-15;1-11-5-7-15(9-13(11)3)17(19)18-16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)18-17(19)15-6-5-13(3)14(4)10-15;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15;1-11-5-6-13(3)16(9-11)17(18)15-8-7-12(2)14(4)10-15;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-14H,1-4H3;3*7-12H,1-6H3;3*5-10H,1-4H3,(H,18,19);4*5-10,17-18H,1-4H3
InChIKeyNXGOIPHZYMPRRC-UHFFFAOYSA-N
MW2845.26 g/mol
LogP46.26
Rot. Bonds24

About 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

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 (PubChem CID 159911759) has the molecular formula C195H231N3O9Si3 and a molecular weight of 2845.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159911759
Molecular FormulaC195H231N3O9Si3
Molecular Weight2845.26 g/mol
Exact Mass2842.70
IUPAC Namebis(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
SMILESCc1cc(C)cc(C(O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc(NC(=O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc([Si](C)(C)c2ccc(C)c(C)c2)c1.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C)c(C(O)c2ccc(C)c(C)c2)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C22H22O2.3C18H24Si.3C17H19NO.4C17H20O/c1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;2*1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-9-14(2)11-18(10-13)19(5,6)17-8-7-15(3)16(4)12-17;1-11-5-8-16(14(4)9-11)18-17(19)15-7-6-12(2)13(3)10-15;1-11-5-7-15(9-13(11)3)17(19)18-16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)18-17(19)15-6-5-13(3)14(4)10-15;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15;1-11-5-6-13(3)16(9-11)17(18)15-8-7-12(2)14(4)10-15;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-14H,1-4H3;3*7-12H,1-6H3;3*5-10H,1-4H3,(H,18,19);4*5-10,17-18H,1-4H3
InChIKeyNXGOIPHZYMPRRC-UHFFFAOYSA-N
XLogP46.26
TPSA186.68 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002845.26
LogP ≤ 546.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(C(O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc(NC(=O)c2ccc(C)c(C)c2)c1.Cc1cc(C)cc([Si](C)(C)c2ccc(C)c(C)c2)c1.Cc1ccc(C(O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(O)c2cccc(C)c2C)cc1C.Cc1ccc(C)c(C(O)c2ccc(C)c(C)c2)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1.Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc([Si](C)(C)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 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?
The InChIKey is NXGOIPHZYMPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2.3C18H24Si.3C17H19NO.4C17H20O/c1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;2*1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-13-9-14(2)11-18(10-13)19(5,6)17-8-7-15(3)16(4)12-17;1-11-5-8-16(14(4)9-11)18-17(19)15-7-6-12(2)13(3)10-15;1-11-5-7-15(9-13(11)3)17(19)18-16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)18-17(19)15-6-5-13(3)14(4)10-15;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-7-12(2)9-16(8-11)17(18)15-6-5-13(3)14(4)10-15;1-11-5-6-13(3)16(9-11)17(18)15-8-7-12(2)14(4)10-15;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4/h5-14H,1-4H3;3*7-12H,1-6H3;3*5-10H,1-4H3,(H,18,19);4*5-10,17-18H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2845.26 g/mol, XLogP of 46.26, 24 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159911759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).