tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane

C130H178O — CID 162227505

IUPACtris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane
SMILESC.C.C.C.CC(C)(C)Oc1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.Cc1cccc2cccc(C)c12
InChIInChI=1S/3C20H26.C18H24O.2C18H24.C12H12.4CH4/c3*1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;1-17(2,3)16-14-10-8-7-9-13(14)11-12-15(16)19-18(4,5)6;2*1-17(2,3)14-11-7-9-13-10-8-12-15(16(13)14)18(4,5)6;1-9-5-3-7-11-8-4-6-10(2)12(9)11;;;;/h3*7-14H,1-6H3;7-12H,1-6H3;2*7-12H,1-6H3;3-8H,1-2H3;4*1H4
InChIKeyZUYMKNDXCHKFAI-UHFFFAOYSA-N
MW1756.85 g/mol
LogP40.03
Rot. Bonds4

About tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane

tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane (PubChem CID 162227505) has the molecular formula C130H178O and a molecular weight of 1756.85 g/mol. Its IUPAC name is tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane.

Molecular Properties

Compound Nametris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane
PubChem CID162227505
Molecular FormulaC130H178O
Molecular Weight1756.85 g/mol
Exact Mass1755.39
IUPAC Nametris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane
SMILESC.C.C.C.CC(C)(C)Oc1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.Cc1cccc2cccc(C)c12
InChIInChI=1S/3C20H26.C18H24O.2C18H24.C12H12.4CH4/c3*1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;1-17(2,3)16-14-10-8-7-9-13(14)11-12-15(16)19-18(4,5)6;2*1-17(2,3)14-11-7-9-13-10-8-12-15(16(13)14)18(4,5)6;1-9-5-3-7-11-8-4-6-10(2)12(9)11;;;;/h3*7-14H,1-6H3;7-12H,1-6H3;2*7-12H,1-6H3;3-8H,1-2H3;4*1H4
InChIKeyZUYMKNDXCHKFAI-UHFFFAOYSA-N
XLogP40.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.85
LogP ≤ 540.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl 2-naphthyl ether
CID 123080
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
Naphthalene, 1-(phenylmethoxy)-
CID 136404
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
1-(2-Acetyloxynaphthyl)-2-naphthyl acetate
CID 350794
4-Methoxy-1-methylnaphthalene
CID 4381467
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385

Frequently Asked Questions

What is the IUPAC name of tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane?
The IUPAC name of tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane (CID 162227505) is tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane.
What is the SMILES notation for tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane?
The canonical SMILES for tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane is C.C.C.C.CC(C)(C)Oc1ccc2ccccc2c1C(C)(C)C.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1cccc2cccc(C(C)(C)C)c12.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.Cc1cccc2cccc(C)c12.
What is the InChIKey of tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane?
The InChIKey is ZUYMKNDXCHKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H26.C18H24O.2C18H24.C12H12.4CH4/c3*1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;1-17(2,3)16-14-10-8-7-9-13(14)11-12-15(16)19-18(4,5)6;2*1-17(2,3)14-11-7-9-13-10-8-12-15(16(13)14)18(4,5)6;1-9-5-3-7-11-8-4-6-10(2)12(9)11;;;;/h3*7-14H,1-6H3;7-12H,1-6H3;2*7-12H,1-6H3;3-8H,1-2H3;4*1H4.
What are the key properties of tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane?
tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane has a molecular weight of 1756.85 g/mol, XLogP of 40.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-tert-butyl-2-(2-tert-butylphenyl)benzene);1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]naphthalene;bis(1,8-ditert-butylnaphthalene);1,8-dimethylnaphthalene;methane is sourced from PubChem (CID 162227505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).