2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine

C70H66N2O2S2 — CID 157449807

IUPAC2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine
SMILESCc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)n1.Cc1cncc(C)c1
InChIInChI=1S/2C14H12O.2C14H12S.2C7H9N/c1-9-3-5-13-11(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;1-9-3-5-13-11(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;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6/h4*3-8H,1-2H3;2*3-5H,1-2H3
InChIKeyBSQYHGYHJGVIEW-UHFFFAOYSA-N
MW1031.44 g/mol
LogP21.15
Rot. Bonds

About 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine

2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine (PubChem CID 157449807) has the molecular formula C70H66N2O2S2 and a molecular weight of 1031.44 g/mol. Its IUPAC name is 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine.

Molecular Properties

Compound Name2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine
PubChem CID157449807
Molecular FormulaC70H66N2O2S2
Molecular Weight1031.44 g/mol
Exact Mass1030.46
IUPAC Name2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine
SMILESCc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)n1.Cc1cncc(C)c1
InChIInChI=1S/2C14H12O.2C14H12S.2C7H9N/c1-9-3-5-13-11(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;1-9-3-5-13-11(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;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6/h4*3-8H,1-2H3;2*3-5H,1-2H3
InChIKeyBSQYHGYHJGVIEW-UHFFFAOYSA-N
XLogP21.15
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.44
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine with MolForge

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Related Compounds

4-Dibenzofuran-2-yl-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 76320968
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
[6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]methanone
CID 177656970
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
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
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-(4-pyridin-4-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341426
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
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine?
The IUPAC name of 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine (CID 157449807) is 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine.
What is the SMILES notation for 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine?
The canonical SMILES for 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine is Cc1ccc2oc3c(C)cccc3c2c1.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3c(C)cccc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc(C)n1.Cc1cncc(C)c1.
What is the InChIKey of 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine?
The InChIKey is BSQYHGYHJGVIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O.2C14H12S.2C7H9N/c1-9-3-5-13-11(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;1-9-3-5-13-11(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;1-6-3-7(2)5-8-4-6;1-6-4-3-5-7(2)8-6/h4*3-8H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine?
2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine has a molecular weight of 1031.44 g/mol, XLogP of 21.15, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;2,6-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;2,6-dimethylpyridine;3,5-dimethylpyridine is sourced from PubChem (CID 157449807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).