3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine

C36H38N2S — CID 132567433

IUPAC3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine
SMILESCc1nc(-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)c(C)n3)s2)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H38N2S/c1-23-29(25-9-13-27(14-10-25)35(3,4)5)17-19-31(37-23)33-21-22-34(39-33)32-20-18-30(24(2)38-32)26-11-15-28(16-12-26)36(6,7)8/h9-22H,1-8H3
InChIKeyPNGSAMSRKMPSAT-UHFFFAOYSA-N
MW530.78 g/mol
LogP10.42
Rot. Bonds4

About 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine

3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine (PubChem CID 132567433) has the molecular formula C36H38N2S and a molecular weight of 530.78 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine
PubChem CID132567433
Molecular FormulaC36H38N2S
Molecular Weight530.78 g/mol
Exact Mass530.28
IUPAC Name3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine
SMILESCc1nc(-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)c(C)n3)s2)ccc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H38N2S/c1-23-29(25-9-13-27(14-10-25)35(3,4)5)17-19-31(37-23)33-21-22-34(39-33)32-20-18-30(24(2)38-32)26-11-15-28(16-12-26)36(6,7)8/h9-22H,1-8H3
InChIKeyPNGSAMSRKMPSAT-UHFFFAOYSA-N
XLogP10.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.78
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine with MolForge

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Related Compounds

3-(bromomethyl)-6-(4-tert-butylphenyl)-2-methylpyridine
CID 67155949
2-[5-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]thiophen-2-yl]pyridine
CID 58658166
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
1-[5-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-2-yl]ethanol
CID 138725744
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
CID 43154259
4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride
CID 70295713
6-(4-tert-butylphenyl)-2-phenylthieno[2,3-b]pyridine
CID 155629099

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine (CID 132567433) is 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine is Cc1nc(-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)c(C)n3)s2)ccc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine?
The InChIKey is PNGSAMSRKMPSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2S/c1-23-29(25-9-13-27(14-10-25)35(3,4)5)17-19-31(37-23)33-21-22-34(39-33)32-20-18-30(24(2)38-32)26-11-15-28(16-12-26)36(6,7)8/h9-22H,1-8H3.
What are the key properties of 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine?
3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine has a molecular weight of 530.78 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-6-[5-[5-(4-tert-butylphenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]-2-methylpyridine is sourced from PubChem (CID 132567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).