8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine

C32H27N3Se — CID 140741893

IUPAC8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)nc(C(C)(C)c2cc(C)cc(-c3cccc4c3[se]c3ncccc34)n2)c1
InChIInChI=1S/C32H27N3Se/c1-20-16-26(22-10-6-5-7-11-22)34-28(18-20)32(3,4)29-19-21(2)17-27(35-29)25-13-8-12-23-24-14-9-15-33-31(24)36-30(23)25/h5-19H,1-4H3
InChIKeyPKUSLWCEAFGGQW-UHFFFAOYSA-N
MW532.55 g/mol
LogP7.51
Rot. Bonds4

About 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine

8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine (PubChem CID 140741893) has the molecular formula C32H27N3Se and a molecular weight of 532.55 g/mol. Its IUPAC name is 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine
PubChem CID140741893
Molecular FormulaC32H27N3Se
Molecular Weight532.55 g/mol
Exact Mass533.14
IUPAC Name8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)nc(C(C)(C)c2cc(C)cc(-c3cccc4c3[se]c3ncccc34)n2)c1
InChIInChI=1S/C32H27N3Se/c1-20-16-26(22-10-6-5-7-11-22)34-28(18-20)32(3,4)29-19-21(2)17-27(35-29)25-13-8-12-23-24-14-9-15-33-31(24)36-30(23)25/h5-19H,1-4H3
InChIKeyPKUSLWCEAFGGQW-UHFFFAOYSA-N
XLogP7.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742099
[6-(2-methyl-[1]benzoselenolo[2,3-b]pyridin-8-yl)-2-pyridinyl]-diphenyl-(6-phenyl-2-pyridinyl)silane
CID 140742357
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
8-[6-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-2-pyridinyl]-2-methyl-[1]benzoselenolo[2,3-b]pyridine
CID 140742077
2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine
CID 140895963
8-[6-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]phenyl]propan-2-yl]-2-pyridinyl]-2-methyl-[1]benzoselenolo[2,3-b]pyridine
CID 140742166
2-methyl-8-[4-methyl-6-[2-(4-methyl-6-phenoxy-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742031
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
4-[6-(1-methylimidazol-2-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 176787889

Frequently Asked Questions

What is the IUPAC name of 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine?
The IUPAC name of 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine (CID 140741893) is 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine.
What is the SMILES notation for 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine?
The canonical SMILES for 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine is Cc1cc(-c2ccccc2)nc(C(C)(C)c2cc(C)cc(-c3cccc4c3[se]c3ncccc34)n2)c1.
What is the InChIKey of 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine?
The InChIKey is PKUSLWCEAFGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3Se/c1-20-16-26(22-10-6-5-7-11-22)34-28(18-20)32(3,4)29-19-21(2)17-27(35-29)25-13-8-12-23-24-14-9-15-33-31(24)36-30(23)25/h5-19H,1-4H3.
What are the key properties of 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine?
8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine has a molecular weight of 532.55 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methyl-6-[2-(4-methyl-6-phenyl-2-pyridinyl)propan-2-yl]-2-pyridinyl]-[1]benzoselenolo[2,3-b]pyridine is sourced from PubChem (CID 140741893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).