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

C17H17NSe — CID 153463463

IUPAC6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine
SMILESCc1cc(-c2cc3[se]ccc3cn2)cc(C(C)C)c1
InChIInChI=1S/C17H17NSe/c1-11(2)14-6-12(3)7-15(8-14)16-9-17-13(10-18-16)4-5-19-17/h4-11H,1-3H3
InChIKeyNQTDWNCONNUMGB-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.39
Rot. Bonds2

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

6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine (PubChem CID 153463463) has the molecular formula C17H17NSe and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine.

Molecular Properties

Compound Name6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine
PubChem CID153463463
Molecular FormulaC17H17NSe
Molecular Weight314.29 g/mol
Exact Mass315.05
IUPAC Name6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine
SMILESCc1cc(-c2cc3[se]ccc3cn2)cc(C(C)C)c1
InChIInChI=1S/C17H17NSe/c1-11(2)14-6-12(3)7-15(8-14)16-9-17-13(10-18-16)4-5-19-17/h4-11H,1-3H3
InChIKeyNQTDWNCONNUMGB-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.39
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-pentan-3-ylphenyl)selenopheno[3,2-c]pyridine
CID 153463280
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
5-(3-butan-2-yl-5-methylphenyl)selenopheno[3,2-b]pyridine
CID 153463540
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
5-(3,5-dimethylphenyl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine
CID 155626050
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-(3,5-dimethylphenyl)-4-phenyl-5-propan-2-ylpyridine
CID 140847625
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine?
The IUPAC name of 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine (CID 153463463) is 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine.
What is the SMILES notation for 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine?
The canonical SMILES for 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine is Cc1cc(-c2cc3[se]ccc3cn2)cc(C(C)C)c1.
What is the InChIKey of 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine?
The InChIKey is NQTDWNCONNUMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NSe/c1-11(2)14-6-12(3)7-15(8-14)16-9-17-13(10-18-16)4-5-19-17/h4-11H,1-3H3.
What are the key properties of 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine?
6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine has a molecular weight of 314.29 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-propan-2-ylphenyl)selenopheno[3,2-c]pyridine is sourced from PubChem (CID 153463463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).