5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine

C25H19NS — CID 155629233

IUPAC5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3sc(-c4ccc5ccccc5c4)cc3n2)c1
InChIInChI=1S/C25H19NS/c1-16-11-17(2)13-21(12-16)22-9-10-24-23(26-22)15-25(27-24)20-8-7-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3
InChIKeyQDYYMVXWCPUVSW-UHFFFAOYSA-N
MW365.50 g/mol
LogP7.40
Rot. Bonds2

About 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine

5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine (PubChem CID 155629233) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
PubChem CID155629233
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC Name5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3sc(-c4ccc5ccccc5c4)cc3n2)c1
InChIInChI=1S/C25H19NS/c1-16-11-17(2)13-21(12-16)22-9-10-24-23(26-22)15-25(27-24)20-8-7-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3
InChIKeyQDYYMVXWCPUVSW-UHFFFAOYSA-N
XLogP7.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3-phenylphenyl)thieno[3,2-b]pyridine
CID 155628498
5-naphthalen-2-ylthieno[3,2-b]thiophene
CID 134966612
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-naphthalen-2-yl-5-(4-phenanthren-3-ylnaphthalen-1-yl)-1,3-benzothiazole
CID 164780545

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine (CID 155629233) is 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine is Cc1cc(C)cc(-c2ccc3sc(-c4ccc5ccccc5c4)cc3n2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine?
The InChIKey is QDYYMVXWCPUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-16-11-17(2)13-21(12-16)22-9-10-24-23(26-22)15-25(27-24)20-8-7-18-5-3-4-6-19(18)14-20/h3-15H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine?
5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine has a molecular weight of 365.50 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 155629233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).