bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene

C84H159N9S2 — CID 158526238

IUPACbis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.2C6H8S.3C5H6N2.16C2H6/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;16*1-2/h2-6H,1H3;3*2-5H,1H3;2*3-4H,1-2H3;3*2-4H,1H3;16*1-2H3
InChIKeyHMUXHFMUPXVJML-UHFFFAOYSA-N
MW1359.39 g/mol
LogP29.67
Rot. Bonds

About bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene

bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene (PubChem CID 158526238) has the molecular formula C84H159N9S2 and a molecular weight of 1359.39 g/mol. Its IUPAC name is bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene.

Molecular Properties

Compound Namebis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
PubChem CID158526238
Molecular FormulaC84H159N9S2
Molecular Weight1359.39 g/mol
Exact Mass1358.22
IUPAC Namebis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/C7H8.3C6H7N.2C6H8S.3C5H6N2.16C2H6/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;16*1-2/h2-6H,1H3;3*2-5H,1H3;2*3-4H,1-2H3;3*2-4H,1H3;16*1-2H3
InChIKeyHMUXHFMUPXVJML-UHFFFAOYSA-N
XLogP29.67
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.39
LogP ≤ 529.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,3-dimethylthiophene);ethane;methane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 159609173
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 157260793
2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;toluene
CID 157075597
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The IUPAC name of bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene (CID 158526238) is bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene.
What is the SMILES notation for bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The canonical SMILES for bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccncn1.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
The InChIKey is HMUXHFMUPXVJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.2C6H8S.3C5H6N2.16C2H6/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-3-4-7-6(5)2;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;16*1-2/h2-6H,1H3;3*2-5H,1H3;2*3-4H,1-2H3;3*2-4H,1H3;16*1-2H3.
What are the key properties of bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene?
bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene has a molecular weight of 1359.39 g/mol, XLogP of 29.67, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene is sourced from PubChem (CID 158526238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).