bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene

C81H135N9 — CID 163474708

IUPACbis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/2C8H10.5C7H9N.2C6H8N2.9C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h2*3-6H,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyBZMKPLKZYAUJOW-UHFFFAOYSA-N
MW1235.03 g/mol
LogP24.52
Rot. Bonds

About bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene

bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene (PubChem CID 163474708) has the molecular formula C81H135N9 and a molecular weight of 1235.03 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namebis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
PubChem CID163474708
Molecular FormulaC81H135N9
Molecular Weight1235.03 g/mol
Exact Mass1234.08
IUPAC Namebis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/2C8H10.5C7H9N.2C6H8N2.9C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h2*3-6H,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyBZMKPLKZYAUJOW-UHFFFAOYSA-N
XLogP24.52
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.03
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane
CID 160963900
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
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
CID 158190897
2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
CID 158053657
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
2,5,9-trimethylazecine
CID 144887910
2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159876086
ethane;2,7,9-trimethylazecine
CID 145048152
1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 159007156
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
2,4-dimethylpyridine;3-ethyl-5-methylpyridine
CID 144600584
bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
CID 158582410

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene?
The IUPAC name of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene (CID 163474708) is bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene.
What is the SMILES notation for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene?
The canonical SMILES for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.
What is the InChIKey of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene?
The InChIKey is BZMKPLKZYAUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.5C7H9N.2C6H8N2.9C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h2*3-6H,1-2H3;5*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3.
What are the key properties of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene?
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene has a molecular weight of 1235.03 g/mol, XLogP of 24.52, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene is sourced from PubChem (CID 163474708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).