2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine

C29H19NOS — CID 141145261

IUPAC2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine
SMILESc1ccc(-c2sc(-c3ccco3)c(-c3ccccn3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C29H19NOS/c1-2-11-21(12-3-1)28-26(23-15-8-13-20-10-4-5-14-22(20)23)27(24-16-6-7-18-30-24)29(32-28)25-17-9-19-31-25/h1-19H
InChIKeyVCCCCITXMLAOJE-UHFFFAOYSA-N
MW429.54 g/mol
LogP8.56
Rot. Bonds4

About 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine

2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine (PubChem CID 141145261) has the molecular formula C29H19NOS and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine
PubChem CID141145261
Molecular FormulaC29H19NOS
Molecular Weight429.54 g/mol
Exact Mass429.12
IUPAC Name2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine
SMILESc1ccc(-c2sc(-c3ccco3)c(-c3ccccn3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C29H19NOS/c1-2-11-21(12-3-1)28-26(23-15-8-13-20-10-4-5-14-22(20)23)27(24-16-6-7-18-30-24)29(32-28)25-17-9-19-31-25/h1-19H
InChIKeyVCCCCITXMLAOJE-UHFFFAOYSA-N
XLogP8.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
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CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
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4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
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CID 118911854
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4-(Furan-2-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
CID 118719750
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
Ethyl 2-(2-[[3-(trifluoromethyl)phenoxy]methyl]-1-benzothiophen-7-yl)pyridine-4-carboxylate
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4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine?
The IUPAC name of 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine (CID 141145261) is 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine?
The canonical SMILES for 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine is c1ccc(-c2sc(-c3ccco3)c(-c3ccccn3)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine?
The InChIKey is VCCCCITXMLAOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NOS/c1-2-11-21(12-3-1)28-26(23-15-8-13-20-10-4-5-14-22(20)23)27(24-16-6-7-18-30-24)29(32-28)25-17-9-19-31-25/h1-19H.
What are the key properties of 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine?
2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine has a molecular weight of 429.54 g/mol, XLogP of 8.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-naphthalen-1-yl-5-phenylthiophen-3-yl]pyridine is sourced from PubChem (CID 141145261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).