bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene

C101H115N7S2 — CID 159233257

IUPACbis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1csc(C)c1
InChIInChI=1S/2C14H14.2C12H12N2.2C8H10.3C7H9N.2C6H8S/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h2*3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyKTDVWQANYPKZBB-UHFFFAOYSA-N
MW1491.21 g/mol
LogP27.89
Rot. Bonds4

About bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene

bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene (PubChem CID 159233257) has the molecular formula C101H115N7S2 and a molecular weight of 1491.21 g/mol. Its IUPAC name is bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namebis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene
PubChem CID159233257
Molecular FormulaC101H115N7S2
Molecular Weight1491.21 g/mol
Exact Mass1489.87
IUPAC Namebis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1csc(C)c1
InChIInChI=1S/2C14H14.2C12H12N2.2C8H10.3C7H9N.2C6H8S/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h2*3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyKTDVWQANYPKZBB-UHFFFAOYSA-N
XLogP27.89
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001491.21
LogP ≤ 527.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;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 159385097
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
2,5,9-trimethylazecine
CID 144887910
2-(4-methylphenyl)-5-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;2-(3-methylphenyl)pyrimidine;2-(4-methylphenyl)pyrimidine;5-(3-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;5-(5-methyl-2-pyridinyl)pyrimidine;5-(5-methyl-3-pyridinyl)pyrimidine;5-(6-methyl-2-pyridinyl)pyrimidine;5-(6-methyl-3-pyridinyl)pyrimidine
CID 159369833
2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159876086
1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 159007156
4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 177498154
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine
CID 159426682
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
CID 160729292
2-cyclopropyl-5-methylpyridine;5-cyclopropyl-2-methylpyridine;2-cyclopropyl-4-methylthiophene;2-cyclopropyl-5-methylthiophene;4-cyclopropyl-2-methylthiophene;methane;2-methylnaphthalene
CID 158936198

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene?
The IUPAC name of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene (CID 159233257) is bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene.
What is the SMILES notation for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene?
The canonical SMILES for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1csc(C)c1.
What is the InChIKey of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene?
The InChIKey is KTDVWQANYPKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14.2C12H12N2.2C8H10.3C7H9N.2C6H8S/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h2*3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene?
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene has a molecular weight of 1491.21 g/mol, XLogP of 27.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).