2-(10-thiophen-2-ylanthracen-9-yl)furan

C22H14OS — CID 163364351

IUPAC2-(10-thiophen-2-ylanthracen-9-yl)furan
SMILESc1coc(-c2c3ccccc3c(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C22H14OS/c1-3-9-17-15(7-1)21(19-11-5-13-23-19)16-8-2-4-10-18(16)22(17)20-12-6-14-24-20/h1-14H
InChIKeyMJZFZMVWLZDKHC-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.98
Rot. Bonds2

About 2-(10-thiophen-2-ylanthracen-9-yl)furan

2-(10-thiophen-2-ylanthracen-9-yl)furan (PubChem CID 163364351) has the molecular formula C22H14OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(10-thiophen-2-ylanthracen-9-yl)furan.

Molecular Properties

Compound Name2-(10-thiophen-2-ylanthracen-9-yl)furan
PubChem CID163364351
Molecular FormulaC22H14OS
Molecular Weight326.42 g/mol
Exact Mass326.08
IUPAC Name2-(10-thiophen-2-ylanthracen-9-yl)furan
SMILESc1coc(-c2c3ccccc3c(-c3cccs3)c3ccccc23)c1
InChIInChI=1S/C22H14OS/c1-3-9-17-15(7-1)21(19-11-5-13-23-19)16-8-2-4-10-18(16)22(17)20-12-6-14-24-20/h1-14H
InChIKeyMJZFZMVWLZDKHC-UHFFFAOYSA-N
XLogP6.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-thiophen-2-ylanthracen-9-yl)furan?
The IUPAC name of 2-(10-thiophen-2-ylanthracen-9-yl)furan (CID 163364351) is 2-(10-thiophen-2-ylanthracen-9-yl)furan.
What is the SMILES notation for 2-(10-thiophen-2-ylanthracen-9-yl)furan?
The canonical SMILES for 2-(10-thiophen-2-ylanthracen-9-yl)furan is c1coc(-c2c3ccccc3c(-c3cccs3)c3ccccc23)c1.
What is the InChIKey of 2-(10-thiophen-2-ylanthracen-9-yl)furan?
The InChIKey is MJZFZMVWLZDKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14OS/c1-3-9-17-15(7-1)21(19-11-5-13-23-19)16-8-2-4-10-18(16)22(17)20-12-6-14-24-20/h1-14H.
What are the key properties of 2-(10-thiophen-2-ylanthracen-9-yl)furan?
2-(10-thiophen-2-ylanthracen-9-yl)furan has a molecular weight of 326.42 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-thiophen-2-ylanthracen-9-yl)furan is sourced from PubChem (CID 163364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).