6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine

C27H29NS — CID 155628986

IUPAC6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3cc(-c4c(C(C)C)cccc4C(C)C)sc3n2)c1
InChIInChI=1S/C27H29NS/c1-16(2)22-8-7-9-23(17(3)4)26(22)25-15-20-10-11-24(28-27(20)29-25)21-13-18(5)12-19(6)14-21/h7-17H,1-6H3
InChIKeyXMKBKVXMVWURBE-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.49
Rot. Bonds4

About 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine

6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine (PubChem CID 155628986) has the molecular formula C27H29NS and a molecular weight of 399.60 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
PubChem CID155628986
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
SMILESCc1cc(C)cc(-c2ccc3cc(-c4c(C(C)C)cccc4C(C)C)sc3n2)c1
InChIInChI=1S/C27H29NS/c1-16(2)22-8-7-9-23(17(3)4)26(22)25-15-20-10-11-24(28-27(20)29-25)21-13-18(5)12-19(6)14-21/h7-17H,1-6H3
InChIKeyXMKBKVXMVWURBE-UHFFFAOYSA-N
XLogP8.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
CID 155628792
2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
5-(3-tert-butyl-5-methylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[3,2-b]pyridine
CID 155629261
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
5-(3,5-dimethylphenyl)-2-(4-propan-2-ylphenyl)thieno[2,3-c]pyridine
CID 155626143
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099
8-[2-(3,5-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155628946
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
5-(3,5-dimethylphenyl)-2-phenylthieno[3,2-b]pyridine
CID 155226369
5-(3,5-dimethylphenyl)-2-naphthalen-2-ylthieno[3,2-b]pyridine
CID 155629233
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(3,5-dimethylphenyl)-4-phenyl-5-propan-2-ylpyridine
CID 140847625

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine?
The IUPAC name of 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine (CID 155628986) is 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine is Cc1cc(C)cc(-c2ccc3cc(-c4c(C(C)C)cccc4C(C)C)sc3n2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine?
The InChIKey is XMKBKVXMVWURBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-16(2)22-8-7-9-23(17(3)4)26(22)25-15-20-10-11-24(28-27(20)29-25)21-13-18(5)12-19(6)14-21/h7-17H,1-6H3.
What are the key properties of 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine?
6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine has a molecular weight of 399.60 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 155628986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).