ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)

C60H87N7 — CID 144561449

IUPACethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc#cn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ncccc1-c1ccccc1
InChIInChI=1S/C12H11N.5C6H7N.C6H5N.6C2H6/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11;6*1-6-4-2-3-5-7-6;6*1-2/h2-9H,1H3;5*2-5H,1H3;2,4H,1H3;6*1-2H3
InChIKeyDYDUOVQSFFGRPS-UHFFFAOYSA-N
MW906.40 g/mol
LogP17.15
Rot. Bonds1

About ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)

ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) (PubChem CID 144561449) has the molecular formula C60H87N7 and a molecular weight of 906.40 g/mol. Its IUPAC name is ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine).

Molecular Properties

Compound Nameethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)
PubChem CID144561449
Molecular FormulaC60H87N7
Molecular Weight906.40 g/mol
Exact Mass905.70
IUPAC Nameethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc#cn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ncccc1-c1ccccc1
InChIInChI=1S/C12H11N.5C6H7N.C6H5N.6C2H6/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11;6*1-6-4-2-3-5-7-6;6*1-2/h2-9H,1H3;5*2-5H,1H3;2,4H,1H3;6*1-2H3
InChIKeyDYDUOVQSFFGRPS-UHFFFAOYSA-N
XLogP17.15
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.40
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) 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

2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
3-phenyl-2-(trideuteriomethyl)pyridine
CID 172854146
ethane;2-methylpyridine;toluene
CID 143164268
2-methylpyridine;pyridine
CID 19753594
3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2,2-dimethylpropane;2-methylpyridine
CID 159740552
2-methyl-3-[4-[10-[4-(2-methyl-3-pyridinyl)phenyl]-2-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642459
ethane;2-methylpyridine;pyridin-2-ylmethanamine
CID 158124738
ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 144506103
S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
CID 144505126

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)?
The IUPAC name of ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) (CID 144561449) is ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine).
What is the SMILES notation for ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)?
The canonical SMILES for ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) is CC.CC.CC.CC.CC.CC.Cc1ccc#cn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ncccc1-c1ccccc1.
What is the InChIKey of ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)?
The InChIKey is DYDUOVQSFFGRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.5C6H7N.C6H5N.6C2H6/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11;6*1-6-4-2-3-5-7-6;6*1-2/h2-9H,1H3;5*2-5H,1H3;2,4H,1H3;6*1-2H3.
What are the key properties of ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine)?
ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) has a molecular weight of 906.40 g/mol, XLogP of 17.15, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-didehydropyridine;2-methyl-3-phenylpyridine;pentakis(2-methylpyridine) is sourced from PubChem (CID 144561449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).