N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline

C22H19NS — CID 71051968

IUPACN-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline
SMILESC1=C(c2ccccc2)SC(c2ccc(Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H19NS/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/h1-15,22-23H,16H2
InChIKeyFRGFGNGUKORVSQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.65
Rot. Bonds4

About N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline

N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline (PubChem CID 71051968) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline
PubChem CID71051968
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC NameN-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline
SMILESC1=C(c2ccccc2)SC(c2ccc(Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H19NS/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/h1-15,22-23H,16H2
InChIKeyFRGFGNGUKORVSQ-UHFFFAOYSA-N
XLogP6.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.65
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-phenyl-2,3-dihydrothiophen-2-yl)aniline?
The IUPAC name of N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline (CID 71051968) is N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline.
What is the SMILES notation for N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline?
The canonical SMILES for N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline is C1=C(c2ccccc2)SC(c2ccc(Nc3ccccc3)cc2)C1.
What is the InChIKey of N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline?
The InChIKey is FRGFGNGUKORVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/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/h1-15,22-23H,16H2.
What are the key properties of N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline?
N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline has a molecular weight of 329.47 g/mol, XLogP of 6.65, 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-phenyl-2,3-dihydrothiophen-2-yl)aniline is sourced from PubChem (CID 71051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).