6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine

C23H21NS — CID 155629099

IUPAC6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3cc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C23H21NS/c1-23(2,3)19-12-9-16(10-13-19)20-14-11-18-15-21(25-22(18)24-20)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyZDMFGUNHNPLKHY-UHFFFAOYSA-N
MW343.50 g/mol
LogP6.93
Rot. Bonds2

About 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine

6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine (PubChem CID 155629099) has the molecular formula C23H21NS and a molecular weight of 343.50 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
PubChem CID155629099
Molecular FormulaC23H21NS
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3cc(-c4ccccc4)sc3n2)cc1
InChIInChI=1S/C23H21NS/c1-23(2,3)19-12-9-16(10-13-19)20-14-11-18-15-21(25-22(18)24-20)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyZDMFGUNHNPLKHY-UHFFFAOYSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-6-phenylthieno[2,3-b]pyridine
CID 155628557
6-(3-tert-butyl-5-methylphenyl)-2-(4-methylphenyl)thieno[2,3-b]pyridine
CID 155628726
2-(3,5-ditert-butylphenyl)-5-phenylthieno[2,3-c]pyridine
CID 155626837
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)thieno[2,3-b]pyridine
CID 155628792
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
6-(3-tert-butyl-5-methylphenyl)-2-phenylthieno[3,2-c]pyridine
CID 155626337
2-tert-butyl-5-phenyl-1,3-thiazole
CID 21059934
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
6-(3,5-dimethylphenyl)-2-[2,6-di(propan-2-yl)phenyl]thieno[2,3-b]pyridine
CID 155628986

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine?
The IUPAC name of 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine (CID 155629099) is 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine is CC(C)(C)c1ccc(-c2ccc3cc(-c4ccccc4)sc3n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine?
The InChIKey is ZDMFGUNHNPLKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NS/c1-23(2,3)19-12-9-16(10-13-19)20-14-11-18-15-21(25-22(18)24-20)17-7-5-4-6-8-17/h4-15H,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine?
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine has a molecular weight of 343.50 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine is sourced from PubChem (CID 155629099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).