2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine

C30H25N3 — CID 58004258

IUPAC2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine
SMILESCC(C)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cncc(-c3ccccn3)c2)n1
InChIInChI=1S/C30H25N3/c1-30(2,26-13-8-12-23(19-26)22-10-4-3-5-11-22)29-16-9-15-28(33-29)25-18-24(20-31-21-25)27-14-6-7-17-32-27/h3-21H,1-2H3
InChIKeyFFCLUONKRHYIHA-UHFFFAOYSA-N
MW427.55 g/mol
LogP7.20
Rot. Bonds5

About 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine

2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine (PubChem CID 58004258) has the molecular formula C30H25N3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine
PubChem CID58004258
Molecular FormulaC30H25N3
Molecular Weight427.55 g/mol
Exact Mass427.20
IUPAC Name2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine
SMILESCC(C)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cncc(-c3ccccn3)c2)n1
InChIInChI=1S/C30H25N3/c1-30(2,26-13-8-12-23(19-26)22-10-4-3-5-11-22)29-16-9-15-28(33-29)25-18-24(20-31-21-25)27-14-6-7-17-32-27/h3-21H,1-2H3
InChIKeyFFCLUONKRHYIHA-UHFFFAOYSA-N
XLogP7.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine?
The IUPAC name of 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine (CID 58004258) is 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine?
The canonical SMILES for 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine is CC(C)(c1cccc(-c2ccccc2)c1)c1cccc(-c2cncc(-c3ccccn3)c2)n1.
What is the InChIKey of 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine?
The InChIKey is FFCLUONKRHYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3/c1-30(2,26-13-8-12-23(19-26)22-10-4-3-5-11-22)29-16-9-15-28(33-29)25-18-24(20-31-21-25)27-14-6-7-17-32-27/h3-21H,1-2H3.
What are the key properties of 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine?
2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine has a molecular weight of 427.55 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine is sourced from PubChem (CID 58004258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).