2,5-bis(4-nitrophenyl)furan

C16H10N2O5 — CID 2818433

IUPAC2,5-bis(4-nitrophenyl)furan
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C16H10N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H
InChIKeyHNKNQFPHXUOLQW-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.43
Rot. Bonds4

About 2,5-bis(4-nitrophenyl)furan

2,5-bis(4-nitrophenyl)furan (PubChem CID 2818433) has the molecular formula C16H10N2O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2,5-bis(4-nitrophenyl)furan.

Molecular Properties

Compound Name2,5-bis(4-nitrophenyl)furan
PubChem CID2818433
Molecular FormulaC16H10N2O5
Molecular Weight310.27 g/mol
Exact Mass310.06
IUPAC Name2,5-bis(4-nitrophenyl)furan
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C16H10N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H
InChIKeyHNKNQFPHXUOLQW-UHFFFAOYSA-N
XLogP4.43
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-nitrophenyl)furan?
The IUPAC name of 2,5-bis(4-nitrophenyl)furan (CID 2818433) is 2,5-bis(4-nitrophenyl)furan.
What is the SMILES notation for 2,5-bis(4-nitrophenyl)furan?
The canonical SMILES for 2,5-bis(4-nitrophenyl)furan is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of 2,5-bis(4-nitrophenyl)furan?
The InChIKey is HNKNQFPHXUOLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H.
What are the key properties of 2,5-bis(4-nitrophenyl)furan?
2,5-bis(4-nitrophenyl)furan has a molecular weight of 310.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-nitrophenyl)furan is sourced from PubChem (CID 2818433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).