bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene

C122H122N2O3S2 — CID 159327058

IUPACbis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C
InChIInChI=1S/3C14H12O.2C14H12S.C14H14.3C8H10.2C7H9N/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;2*1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5*3-8H,1-2H3;3-10H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyLEMNTGHIGMLTAT-UHFFFAOYSA-N
MW1728.46 g/mol
LogP36.23
Rot. Bonds1

About bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene

bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 159327058) has the molecular formula C122H122N2O3S2 and a molecular weight of 1728.46 g/mol. Its IUPAC name is bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namebis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID159327058
Molecular FormulaC122H122N2O3S2
Molecular Weight1728.46 g/mol
Exact Mass1726.89
IUPAC Namebis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C
InChIInChI=1S/3C14H12O.2C14H12S.C14H14.3C8H10.2C7H9N/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;2*1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5*3-8H,1-2H3;3-10H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyLEMNTGHIGMLTAT-UHFFFAOYSA-N
XLogP36.23
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001728.46
LogP ≤ 536.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
1-(1-Benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 144689454
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
CID 158720881
CID 158720881
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
[3,3,4,4,5,5,6,6-Octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] prop-2-enoate;bis([3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] 2-methylprop-2-enoate);[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]octyl] prop-2-enoate
CID 161258371
[7-[[2-(2,6-Diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] prop-2-enoate;[4,4-difluoro-7-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] prop-2-enoate;[4,4-difluoro-7-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]heptyl] prop-2-enoate;[4,4-difluoro-7-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]heptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]heptyl] prop-2-enoate
CID 161607841
[5-[[2-(2,6-Diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[5-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]pentyl] prop-2-enoate;bis([2,2,3,3,4,4-hexafluoro-5-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]pentyl] prop-2-enoate);[2,2,3,3,4,4-hexafluoro-5-[[2-(4-pentylphenyl)-1-benzothiophen-6-yl]oxy]pentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[(2-phenyl-1-benzothiophen-6-yl)oxy]pentyl] prop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]pentyl] prop-2-enoate
CID 161744062
1-(1-Benzothiophen-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 162220108
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 159327058) is bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.
What is the InChIKey of bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is LEMNTGHIGMLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12O.2C14H12S.C14H14.3C8H10.2C7H9N/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;2*1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6/h5*3-8H,1-2H3;3-10H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene?
bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 1728.46 g/mol, XLogP of 36.23, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethyldibenzofuran);2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,5-dimethylpyridine;2,6-dimethylpyridine;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159327058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).