tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)

C128H178 — CID 162034169

IUPACtris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
SMILESC.C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C26H30.3C12H18.4C10H14.3C8H10.2CH4/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25;3*1-9-6-7-11(10(2)8-9)12(3,4)5;4*1-8(2)10-6-4-9(3)5-7-10;3*1-7-5-3-4-6-8(7)2;;/h8-15,26H,1-7H3;3*6-8H,1-5H3;4*4-8H,1-3H3;3*3-6H,1-2H3;2*1H4
InChIKeyYWKSEBQREBRROM-UHFFFAOYSA-N
MW1716.83 g/mol
LogP38.48
Rot. Bonds7

About tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)

tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) (PubChem CID 162034169) has the molecular formula C128H178 and a molecular weight of 1716.83 g/mol. Its IUPAC name is tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene).

Molecular Properties

Compound Nametris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
PubChem CID162034169
Molecular FormulaC128H178
Molecular Weight1716.83 g/mol
Exact Mass1715.39
IUPAC Nametris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
SMILESC.C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C26H30.3C12H18.4C10H14.3C8H10.2CH4/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25;3*1-9-6-7-11(10(2)8-9)12(3,4)5;4*1-8(2)10-6-4-9(3)5-7-10;3*1-7-5-3-4-6-8(7)2;;/h8-15,26H,1-7H3;3*6-8H,1-5H3;4*4-8H,1-3H3;3*3-6H,1-2H3;2*1H4
InChIKeyYWKSEBQREBRROM-UHFFFAOYSA-N
XLogP38.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001716.83
LogP ≤ 538.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) with MolForge

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Related Compounds

1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
CID 59749663
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
CID 159734300
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene
CID 164992801
1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-fluoro-4-methylbenzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 158267653
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene
CID 165007689
1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-2-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-methyl-3,5-di(propan-2-yl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,3,5-trimethylbenzene
CID 161417547
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601

Frequently Asked Questions

What is the IUPAC name of tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)?
The IUPAC name of tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) (CID 162034169) is tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene).
What is the SMILES notation for tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)?
The canonical SMILES for tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) is C.C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)cc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)?
The InChIKey is YWKSEBQREBRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.3C12H18.4C10H14.3C8H10.2CH4/c1-16-8-10-23(11-9-16)26(24-12-17(2)21(6)18(3)13-24)25-14-19(4)22(7)20(5)15-25;3*1-9-6-7-11(10(2)8-9)12(3,4)5;4*1-8(2)10-6-4-9(3)5-7-10;3*1-7-5-3-4-6-8(7)2;;/h8-15,26H,1-7H3;3*6-8H,1-5H3;4*4-8H,1-3H3;3*3-6H,1-2H3;2*1H4.
What are the key properties of tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)?
tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) has a molecular weight of 1716.83 g/mol, XLogP of 38.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene) is sourced from PubChem (CID 162034169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).