1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene

C158H138O3S4 — CID 158098626

IUPAC1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1cccc2c1sc1c(C)cccc12
InChIInChI=1S/3C20H18.3C14H12O.4C14H12S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;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;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h3*3-14H,1-2H3;7*3-8H,1-2H3
InChIKeyFOYZFHLJTMCATP-UHFFFAOYSA-N
MW2213.11 g/mol
LogP48.21
Rot. Bonds6

About 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene

1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene (PubChem CID 158098626) has the molecular formula C158H138O3S4 and a molecular weight of 2213.11 g/mol. Its IUPAC name is 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene.

Molecular Properties

Compound Name1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene
PubChem CID158098626
Molecular FormulaC158H138O3S4
Molecular Weight2213.11 g/mol
Exact Mass2210.95
IUPAC Name1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1cccc2c1sc1c(C)cccc12
InChIInChI=1S/3C20H18.3C14H12O.4C14H12S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;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;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h3*3-14H,1-2H3;7*3-8H,1-2H3
InChIKeyFOYZFHLJTMCATP-UHFFFAOYSA-N
XLogP48.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002213.11
LogP ≤ 548.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene with MolForge

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Related Compounds

1,8-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;1,8-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;2,7-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480425
3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene
CID 158033812
2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;2-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158418392
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
1-methyldibenzofuran;2-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;bis(4-methyldibenzothiophene);toluene
CID 165090146
1-methyldibenzothiophene;2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-methyl-8-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran;2-methyl-8-phenyldibenzothiophene;7-methyl-2-phenyldibenzothiophene
CID 158508614
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;toluene
CID 161062609
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;1-N-(4-methylphenyl)-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 158687855
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586
4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158111097
4-methyldibenzothiophene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(4-phenylphenyl)benzene;2-[3-(3-methylphenyl)phenyl]triphenylene;2-[3-(4-methylphenyl)phenyl]triphenylene;2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 159755832

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene?
The IUPAC name of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene (CID 158098626) is 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene.
What is the SMILES notation for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene?
The canonical SMILES for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1.Cc1cccc2c1sc1c(C)cccc12.
What is the InChIKey of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene?
The InChIKey is FOYZFHLJTMCATP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18.3C14H12O.4C14H12S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;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;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)15-13/h3*3-14H,1-2H3;7*3-8H,1-2H3.
What are the key properties of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene?
1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene has a molecular weight of 2213.11 g/mol, XLogP of 48.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,7-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene is sourced from PubChem (CID 158098626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).