2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine

C22H18N2S — CID 175536244

IUPAC2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C22H18N2S/c23-18-11-4-5-12-19(18)24-20-13-6-10-17(16-8-2-1-3-9-16)22(20)21-14-7-15-25-21/h1-15,24H,23H2
InChIKeyZSLCWDXWGNQKEE-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.41
Rot. Bonds4

About 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine

2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine (PubChem CID 175536244) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine
PubChem CID175536244
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cccc(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C22H18N2S/c23-18-11-4-5-12-19(18)24-20-13-6-10-17(16-8-2-1-3-9-16)22(20)21-14-7-15-25-21/h1-15,24H,23H2
InChIKeyZSLCWDXWGNQKEE-UHFFFAOYSA-N
XLogP6.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine (CID 175536244) is 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine is Nc1ccccc1Nc1cccc(-c2ccccc2)c1-c1cccs1.
What is the InChIKey of 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine?
The InChIKey is ZSLCWDXWGNQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c23-18-11-4-5-12-19(18)24-20-13-6-10-17(16-8-2-1-3-9-16)22(20)21-14-7-15-25-21/h1-15,24H,23H2.
What are the key properties of 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine?
2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine has a molecular weight of 342.47 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 175536244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).