bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane

C83H135N11 — CID 158190897

IUPACbis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/C11H11N.6C7H9N.2C6H8N2.9C2H6/c1-8-7-9(2)12-11-6-4-3-5-10(8)11;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;1-6-4-3-5-7(2)8-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h3-7H,1-2H3;6*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyFZSVLQMUWAQFPP-UHFFFAOYSA-N
MW1287.07 g/mol
LogP24.46
Rot. Bonds

About bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane

bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane (PubChem CID 158190897) has the molecular formula C83H135N11 and a molecular weight of 1287.07 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane.

Molecular Properties

Compound Namebis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
PubChem CID158190897
Molecular FormulaC83H135N11
Molecular Weight1287.07 g/mol
Exact Mass1286.09
IUPAC Namebis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/C11H11N.6C7H9N.2C6H8N2.9C2H6/c1-8-7-9(2)12-11-6-4-3-5-10(8)11;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;1-6-4-3-5-7(2)8-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h3-7H,1-2H3;6*3-5H,1-2H3;2*3-4H,1-2H3;9*1-2H3
InChIKeyFZSVLQMUWAQFPP-UHFFFAOYSA-N
XLogP24.46
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.07
LogP ≤ 524.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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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(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
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
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
2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
CID 158053657
3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine
CID 165020860
1,3-dimethyldibenzofuran;2,4-dimethyldibenzofuran;1,3-dimethyldibenzothiophene;2,4-dimethyldibenzothiophene;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,5-dimethylpyridine
CID 159326317
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
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
ethane;2,7,9-trimethylazecine
CID 145048152
2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;ethane
CID 159686931
2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;2,3,6-trimethylpyridine
CID 159509286

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane?
The IUPAC name of bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane (CID 158190897) is bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane.
What is the SMILES notation for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane?
The canonical SMILES for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.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);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane?
The InChIKey is FZSVLQMUWAQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.6C7H9N.2C6H8N2.9C2H6/c1-8-7-9(2)12-11-6-4-3-5-10(8)11;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;1-6-4-3-5-7(2)8-6;2*1-5-3-7-6(2)8-4-5;9*1-2/h3-7H,1-2H3;6*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);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane?
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane has a molecular weight of 1287.07 g/mol, XLogP of 24.46, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane is sourced from PubChem (CID 158190897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).