6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine

C26H19N3S — CID 90070807

IUPAC6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine
SMILESc1ccc(-c2cccc(Nc3cccc(-c4ccccc4-c4cccs4)n3)n2)cc1
InChIInChI=1S/C26H19N3S/c1-2-9-19(10-3-1)22-13-6-16-25(27-22)29-26-17-7-14-23(28-26)20-11-4-5-12-21(20)24-15-8-18-30-24/h1-18H,(H,27,28,29)
InChIKeyOZWIXPBWYWSEDF-UHFFFAOYSA-N
MW405.53 g/mol
LogP7.28
Rot. Bonds5

About 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine

6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 90070807) has the molecular formula C26H19N3S and a molecular weight of 405.53 g/mol. Its IUPAC name is 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine
PubChem CID90070807
Molecular FormulaC26H19N3S
Molecular Weight405.53 g/mol
Exact Mass405.13
IUPAC Name6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine
SMILESc1ccc(-c2cccc(Nc3cccc(-c4ccccc4-c4cccs4)n3)n2)cc1
InChIInChI=1S/C26H19N3S/c1-2-9-19(10-3-1)22-13-6-16-25(27-22)29-26-17-7-14-23(28-26)20-11-4-5-12-21(20)24-15-8-18-30-24/h1-18H,(H,27,28,29)
InChIKeyOZWIXPBWYWSEDF-UHFFFAOYSA-N
XLogP7.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine (CID 90070807) is 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine is c1ccc(-c2cccc(Nc3cccc(-c4ccccc4-c4cccs4)n3)n2)cc1.
What is the InChIKey of 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is OZWIXPBWYWSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3S/c1-2-9-19(10-3-1)22-13-6-16-25(27-22)29-26-17-7-14-23(28-26)20-11-4-5-12-21(20)24-15-8-18-30-24/h1-18H,(H,27,28,29).
What are the key properties of 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine?
6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 405.53 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[6-(2-thiophen-2-ylphenyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 90070807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).