5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine

C28H21N3 — CID 175097833

IUPAC5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine
SMILESc1ccc(-c2cccc(Nc3ccc(-c4ccccc4)c(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C28H21N3/c1-4-11-21(12-5-1)24-19-20-27(31-28(24)23-15-8-3-9-16-23)30-26-18-10-17-25(29-26)22-13-6-2-7-14-22/h1-20H,(H,29,30,31)
InChIKeyKRYDVSBZABUZFA-UHFFFAOYSA-N
MW399.50 g/mol
LogP7.22
Rot. Bonds5

About 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine

5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine (PubChem CID 175097833) has the molecular formula C28H21N3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine
PubChem CID175097833
Molecular FormulaC28H21N3
Molecular Weight399.50 g/mol
Exact Mass399.17
IUPAC Name5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine
SMILESc1ccc(-c2cccc(Nc3ccc(-c4ccccc4)c(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C28H21N3/c1-4-11-21(12-5-1)24-19-20-27(31-28(24)23-15-8-3-9-16-23)30-26-18-10-17-25(29-26)22-13-6-2-7-14-22/h1-20H,(H,29,30,31)
InChIKeyKRYDVSBZABUZFA-UHFFFAOYSA-N
XLogP7.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine (CID 175097833) is 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine is c1ccc(-c2cccc(Nc3ccc(-c4ccccc4)c(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is KRYDVSBZABUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3/c1-4-11-21(12-5-1)24-19-20-27(31-28(24)23-15-8-3-9-16-23)30-26-18-10-17-25(29-26)22-13-6-2-7-14-22/h1-20H,(H,29,30,31).
What are the key properties of 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine?
5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 175097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).