2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine

C27H17NOS — CID 71277983

IUPAC2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccs6)cc5c4c3)c2)nc1
InChIInChI=1S/C27H17NOS/c1-2-13-28-24(7-1)20-6-3-5-18(15-20)19-9-11-25-22(16-19)23-17-21(10-12-26(23)29-25)27-8-4-14-30-27/h1-17H
InChIKeyNJFGCMVCMJBLNV-UHFFFAOYSA-N
MW403.51 g/mol
LogP8.04
Rot. Bonds3

About 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine

2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine (PubChem CID 71277983) has the molecular formula C27H17NOS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
PubChem CID71277983
Molecular FormulaC27H17NOS
Molecular Weight403.51 g/mol
Exact Mass403.10
IUPAC Name2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccs6)cc5c4c3)c2)nc1
InChIInChI=1S/C27H17NOS/c1-2-13-28-24(7-1)20-6-3-5-18(15-20)19-9-11-25-22(16-19)23-17-21(10-12-26(23)29-25)27-8-4-14-30-27/h1-17H
InChIKeyNJFGCMVCMJBLNV-UHFFFAOYSA-N
XLogP8.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine?
The IUPAC name of 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine (CID 71277983) is 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine is c1ccc(-c2cccc(-c3ccc4oc5ccc(-c6cccs6)cc5c4c3)c2)nc1.
What is the InChIKey of 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine?
The InChIKey is NJFGCMVCMJBLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NOS/c1-2-13-28-24(7-1)20-6-3-5-18(15-20)19-9-11-25-22(16-19)23-17-21(10-12-26(23)29-25)27-8-4-14-30-27/h1-17H.
What are the key properties of 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine?
2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine has a molecular weight of 403.51 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine is sourced from PubChem (CID 71277983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).