7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine

C28H25NS2 — CID 163452200

IUPAC7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c(C)c(-c4sc(-c5ccccc5)c(C)c4C)sc23)c1
InChIInChI=1S/C28H25NS2/c1-16-13-17(2)15-22(14-16)24-28-23(11-12-29-24)20(5)27(31-28)26-19(4)18(3)25(30-26)21-9-7-6-8-10-21/h6-15H,1-5H3
InChIKeyTYUFXDCANVJWEY-UHFFFAOYSA-N
MW439.65 g/mol
LogP8.90
Rot. Bonds3

About 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine

7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine (PubChem CID 163452200) has the molecular formula C28H25NS2 and a molecular weight of 439.65 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine
PubChem CID163452200
Molecular FormulaC28H25NS2
Molecular Weight439.65 g/mol
Exact Mass439.14
IUPAC Name7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c(C)c(-c4sc(-c5ccccc5)c(C)c4C)sc23)c1
InChIInChI=1S/C28H25NS2/c1-16-13-17(2)15-22(14-16)24-28-23(11-12-29-24)20(5)27(31-28)26-19(4)18(3)25(30-26)21-9-7-6-8-10-21/h6-15H,1-5H3
InChIKeyTYUFXDCANVJWEY-UHFFFAOYSA-N
XLogP8.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethylphenyl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 169301174
2-[4-(2,2-dimethylpropyl)phenyl]-3-methyl-7-(7-methyl-5-phenyl-4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171746735
7-(4-tert-butylnaphthalen-2-yl)-2-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
15-(3,5-dimethylphenyl)-3,3,4,4,5,5,6,6-octafluoro-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),8,11(16),12,14-hexaene
CID 165383784
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
1-(3,5-dimethylphenyl)-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 166519219
6-(3,5-dimethylphenyl)-10-(2-methylpropyl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153428523
4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171578829

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine?
The IUPAC name of 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine (CID 163452200) is 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3c(C)c(-c4sc(-c5ccccc5)c(C)c4C)sc23)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine?
The InChIKey is TYUFXDCANVJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NS2/c1-16-13-17(2)15-22(14-16)24-28-23(11-12-29-24)20(5)27(31-28)26-19(4)18(3)25(30-26)21-9-7-6-8-10-21/h6-15H,1-5H3.
What are the key properties of 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine?
7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine has a molecular weight of 439.65 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-2-(3,4-dimethyl-5-phenylthiophen-2-yl)-3-methylthieno[2,3-c]pyridine is sourced from PubChem (CID 163452200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).