6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine

C19H21NSe — CID 153463280

IUPAC6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
SMILESCCC(CC)c1cc(C)cc(-c2cc3[se]ccc3cn2)c1
InChIInChI=1S/C19H21NSe/c1-4-14(5-2)16-8-13(3)9-17(10-16)18-11-19-15(12-20-18)6-7-21-19/h6-12,14H,4-5H2,1-3H3
InChIKeyRAJQFUXWYDGCRH-UHFFFAOYSA-N
MW342.34 g/mol
LogP5.17
Rot. Bonds4

About 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine

6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine (PubChem CID 153463280) has the molecular formula C19H21NSe and a molecular weight of 342.34 g/mol. Its IUPAC name is 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine.

Molecular Properties

Compound Name6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
PubChem CID153463280
Molecular FormulaC19H21NSe
Molecular Weight342.34 g/mol
Exact Mass343.08
IUPAC Name6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
SMILESCCC(CC)c1cc(C)cc(-c2cc3[se]ccc3cn2)c1
InChIInChI=1S/C19H21NSe/c1-4-14(5-2)16-8-13(3)9-17(10-16)18-11-19-15(12-20-18)6-7-21-19/h6-12,14H,4-5H2,1-3H3
InChIKeyRAJQFUXWYDGCRH-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine
CID 153463463
5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
CID 153463540
6-(3-methyl-5-propan-2-ylphenyl)-1,7-naphthyridine
CID 153463563
6-(3-methyl-5-propan-2-ylphenyl)furo[3,2-c]pyridine
CID 153463523
3-(3,5-dimethylphenyl)-6-ethylisoquinoline
CID 170527343
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline
CID 153463396
2-chloro-5-pentan-3-ylpyridine
CID 134459618
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
6-butan-2-yloxy-1-benzoselenophene
CID 87575596
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691
5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
CID 153463361

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine?
The IUPAC name of 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine (CID 153463280) is 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine.
What is the SMILES notation for 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine?
The canonical SMILES for 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine is CCC(CC)c1cc(C)cc(-c2cc3[se]ccc3cn2)c1.
What is the InChIKey of 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine?
The InChIKey is RAJQFUXWYDGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NSe/c1-4-14(5-2)16-8-13(3)9-17(10-16)18-11-19-15(12-20-18)6-7-21-19/h6-12,14H,4-5H2,1-3H3.
What are the key properties of 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine?
6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine has a molecular weight of 342.34 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine is sourced from PubChem (CID 153463280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).