2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine

C29H20FN — CID 171056601

IUPAC2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccn5)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H20FN/c30-28-18-16-26(17-19-28)24-10-8-22(9-11-24)21-4-6-23(7-5-21)25-12-14-27(15-13-25)29-3-1-2-20-31-29/h1-20H
InChIKeyRPHVDRRWWYJIQN-UHFFFAOYSA-N
MW401.48 g/mol
LogP7.89
Rot. Bonds4

About 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine

2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 171056601) has the molecular formula C29H20FN and a molecular weight of 401.48 g/mol. Its IUPAC name is 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
PubChem CID171056601
Molecular FormulaC29H20FN
Molecular Weight401.48 g/mol
Exact Mass401.16
IUPAC Name2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccn5)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H20FN/c30-28-18-16-26(17-19-28)24-10-8-22(9-11-24)21-4-6-23(7-5-21)25-12-14-27(15-13-25)29-3-1-2-20-31-29/h1-20H
InChIKeyRPHVDRRWWYJIQN-UHFFFAOYSA-N
XLogP7.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine (CID 171056601) is 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine is Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccn5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is RPHVDRRWWYJIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN/c30-28-18-16-26(17-19-28)24-10-8-22(9-11-24)21-4-6-23(7-5-21)25-12-14-27(15-13-25)29-3-1-2-20-31-29/h1-20H.
What are the key properties of 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine?
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 401.48 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 171056601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).