3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine

C182H178N28OS — CID 157476714

IUPAC3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2ccc(C)nc2)cn1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nn2)cc1.Cc1ccc(-c2cnc(C)cn2)cc1.Cc1ccc(-c2cnc(C)cn2)cn1.Cc1ccc(-c2cnc(C)cn2)nc1.Cc1ccc(-c2cnc(C)nc2)cc1.Cc1ccc(-c2cnc(C)nc2)cn1.Cc1ccc(-c2cnc(C)nc2)nc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12
InChIInChI=1S/C14H12O.C14H12S.2C13H13N.7C12H12N2.4C11H11N3/c2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12;2*1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11;1-9-3-5-11(7-13-9)12-6-4-10(2)14-8-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-11(6-4-9)12-7-13-10(2)14-8-12;1-9-3-5-11(6-4-9)12-8-13-10(2)7-14-12;1-8-3-4-10(5-12-8)11-6-13-9(2)14-7-11;1-8-3-4-10(6-12-8)11-7-13-9(2)5-14-11;1-8-3-4-11(14-5-8)10-6-12-9(2)13-7-10;1-8-3-4-10(13-5-8)11-7-12-9(2)6-14-11/h2*3-8H,1-2H3;2*3-9H,1-2H3;7*3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyBVRHJMNTKFPHGA-UHFFFAOYSA-N
MW2805.69 g/mol
LogP43.55
Rot. Bonds13

About 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine

3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 157476714) has the molecular formula C182H178N28OS and a molecular weight of 2805.69 g/mol. Its IUPAC name is 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID157476714
Molecular FormulaC182H178N28OS
Molecular Weight2805.69 g/mol
Exact Mass2803.45
IUPAC Name3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2ccc(C)nc2)cn1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nn2)cc1.Cc1ccc(-c2cnc(C)cn2)cc1.Cc1ccc(-c2cnc(C)cn2)cn1.Cc1ccc(-c2cnc(C)cn2)nc1.Cc1ccc(-c2cnc(C)nc2)cc1.Cc1ccc(-c2cnc(C)nc2)cn1.Cc1ccc(-c2cnc(C)nc2)nc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12
InChIInChI=1S/C14H12O.C14H12S.2C13H13N.7C12H12N2.4C11H11N3/c2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12;2*1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11;1-9-3-5-11(7-13-9)12-6-4-10(2)14-8-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-11(6-4-9)12-7-13-10(2)14-8-12;1-9-3-5-11(6-4-9)12-8-13-10(2)7-14-12;1-8-3-4-10(5-12-8)11-6-13-9(2)14-7-11;1-8-3-4-10(6-12-8)11-7-13-9(2)5-14-11;1-8-3-4-11(14-5-8)10-6-12-9(2)13-7-10;1-8-3-4-10(13-5-8)11-7-12-9(2)6-14-11/h2*3-8H,1-2H3;2*3-9H,1-2H3;7*3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyBVRHJMNTKFPHGA-UHFFFAOYSA-N
XLogP43.55
TPSA374.06 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002805.69
LogP ≤ 543.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine (CID 157476714) is 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine is Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)nc2)cc1.Cc1ccc(-c2ccc(C)nc2)cn1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nc2)nc1.Cc1ccc(-c2ccc(C)nn2)cc1.Cc1ccc(-c2cnc(C)cn2)cc1.Cc1ccc(-c2cnc(C)cn2)cn1.Cc1ccc(-c2cnc(C)cn2)nc1.Cc1ccc(-c2cnc(C)nc2)cc1.Cc1ccc(-c2cnc(C)nc2)cn1.Cc1ccc(-c2cnc(C)nc2)nc1.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)sc1cc(C)ccc12.
What is the InChIKey of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is BVRHJMNTKFPHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C14H12S.2C13H13N.7C12H12N2.4C11H11N3/c2*1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-10-3-6-12(7-4-10)13-8-5-11(2)14-9-13;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-6-11(7-4-9)12-8-5-10(2)13-14-12;2*1-9-3-6-12(14-7-9)11-5-4-10(2)13-8-11;1-9-3-5-11(7-13-9)12-6-4-10(2)14-8-12;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-3-5-11(6-4-9)12-7-13-10(2)14-8-12;1-9-3-5-11(6-4-9)12-8-13-10(2)7-14-12;1-8-3-4-10(5-12-8)11-6-13-9(2)14-7-11;1-8-3-4-10(6-12-8)11-7-13-9(2)5-14-11;1-8-3-4-11(14-5-8)10-6-12-9(2)13-7-10;1-8-3-4-10(13-5-8)11-7-12-9(2)6-14-11/h2*3-8H,1-2H3;2*3-9H,1-2H3;7*3-8H,1-2H3;4*3-7H,1-2H3.
What are the key properties of 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 2805.69 g/mol, XLogP of 43.55, 13 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldibenzofuran;3,7-dimethyldibenzothiophene;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;2-methyl-5-(5-methyl-2-pyridinyl)pyrazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;bis(2-methyl-5-(5-methyl-2-pyridinyl)pyridine);2-methyl-5-(6-methyl-3-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 157476714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).