6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline

C27H20N2O — CID 174799791

IUPAC6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline
SMILESNc1c(-c2ccco2)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1cccnc1
InChIInChI=1S/C27H20N2O/c28-27-24(25-9-5-17-30-25)15-14-23(26(27)22-8-4-16-29-18-22)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-18H,28H2
InChIKeyNPSUOSPZWUSZNZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.92
Rot. Bonds4

About 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline

6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline (PubChem CID 174799791) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline.

Molecular Properties

Compound Name6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline
PubChem CID174799791
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline
SMILESNc1c(-c2ccco2)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1cccnc1
InChIInChI=1S/C27H20N2O/c28-27-24(25-9-5-17-30-25)15-14-23(26(27)22-8-4-16-29-18-22)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-18H,28H2
InChIKeyNPSUOSPZWUSZNZ-UHFFFAOYSA-N
XLogP6.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.92
H-Bond Donors ≤ 51
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 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline?
The IUPAC name of 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline (CID 174799791) is 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline.
What is the SMILES notation for 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline?
The canonical SMILES for 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline is Nc1c(-c2ccco2)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1cccnc1.
What is the InChIKey of 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline?
The InChIKey is NPSUOSPZWUSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c28-27-24(25-9-5-17-30-25)15-14-23(26(27)22-8-4-16-29-18-22)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-18H,28H2.
What are the key properties of 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline?
6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline has a molecular weight of 388.47 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-(4-phenylphenyl)-2-pyridin-3-ylaniline is sourced from PubChem (CID 174799791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).