N-phenyl-4-(5-phenylfuran-2-yl)aniline

C22H17NO — CID 59721912

IUPACN-phenyl-4-(5-phenylfuran-2-yl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H17NO/c1-3-7-17(8-4-1)21-15-16-22(24-21)18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-16,23H
InChIKeyMVNIFQGNICNEQK-UHFFFAOYSA-N
MW311.38 g/mol
LogP6.36
Rot. Bonds4

About N-phenyl-4-(5-phenylfuran-2-yl)aniline

N-phenyl-4-(5-phenylfuran-2-yl)aniline (PubChem CID 59721912) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is N-phenyl-4-(5-phenylfuran-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(5-phenylfuran-2-yl)aniline
PubChem CID59721912
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC NameN-phenyl-4-(5-phenylfuran-2-yl)aniline
SMILESc1ccc(Nc2ccc(-c3ccc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H17NO/c1-3-7-17(8-4-1)21-15-16-22(24-21)18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-16,23H
InChIKeyMVNIFQGNICNEQK-UHFFFAOYSA-N
XLogP6.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(5-phenylfuran-2-yl)aniline?
The IUPAC name of N-phenyl-4-(5-phenylfuran-2-yl)aniline (CID 59721912) is N-phenyl-4-(5-phenylfuran-2-yl)aniline.
What is the SMILES notation for N-phenyl-4-(5-phenylfuran-2-yl)aniline?
The canonical SMILES for N-phenyl-4-(5-phenylfuran-2-yl)aniline is c1ccc(Nc2ccc(-c3ccc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(5-phenylfuran-2-yl)aniline?
The InChIKey is MVNIFQGNICNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-3-7-17(8-4-1)21-15-16-22(24-21)18-11-13-20(14-12-18)23-19-9-5-2-6-10-19/h1-16,23H.
What are the key properties of N-phenyl-4-(5-phenylfuran-2-yl)aniline?
N-phenyl-4-(5-phenylfuran-2-yl)aniline has a molecular weight of 311.38 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(5-phenylfuran-2-yl)aniline is sourced from PubChem (CID 59721912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).