5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine

C18H19NSe — CID 153463540

IUPAC5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
SMILESCCC(C)c1cc(C)cc(-c2ccc3[se]ccc3n2)c1
InChIInChI=1S/C18H19NSe/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3
InChIKeyNRLZDMSBMJUWPU-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.78
Rot. Bonds3

About 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine

5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine (PubChem CID 153463540) has the molecular formula C18H19NSe and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
PubChem CID153463540
Molecular FormulaC18H19NSe
Molecular Weight328.32 g/mol
Exact Mass329.07
IUPAC Name5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
SMILESCCC(C)c1cc(C)cc(-c2ccc3[se]ccc3n2)c1
InChIInChI=1S/C18H19NSe/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3
InChIKeyNRLZDMSBMJUWPU-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.78
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

5-(3-butan-2-yl-5-methylphenyl)furo[3,2-b]pyridine
CID 153463361
6-(3-methyl-5-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
CID 153463280
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine
CID 153463463
2-(3-butan-2-yl-5-ethylphenyl)quinoline
CID 153463437
7-butan-2-yl-1-(3,5-dimethylphenyl)isoquinoline
CID 139546343
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
[2-(3,5-dimethylphenyl)quinolin-7-yl]-triethylgermane
CID 140592731
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 91096152
4-methyl-2-(3-methyl-5-pentan-3-ylphenyl)quinazoline
CID 153463396
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine?
The IUPAC name of 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine (CID 153463540) is 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine.
What is the SMILES notation for 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine?
The canonical SMILES for 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine is CCC(C)c1cc(C)cc(-c2ccc3[se]ccc3n2)c1.
What is the InChIKey of 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine?
The InChIKey is NRLZDMSBMJUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NSe/c1-4-13(3)14-9-12(2)10-15(11-14)16-5-6-18-17(19-16)7-8-20-18/h5-11,13H,4H2,1-3H3.
What are the key properties of 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine?
5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine has a molecular weight of 328.32 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine is sourced from PubChem (CID 153463540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).