5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine

C32H25ClF2N2 — CID 139429459

IUPAC5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C32H25ClF2N2/c33-28-18-24(3-1-22-5-15-31(36-20-22)26-7-11-29(34)12-8-26)17-25(19-28)4-2-23-6-16-32(37-21-23)27-9-13-30(35)14-10-27/h5-21H,1-4H2
InChIKeyAIIMNLRQFLGQNP-UHFFFAOYSA-N
MW511.02 g/mol
LogP8.31
Rot. Bonds8

About 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine

5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine (PubChem CID 139429459) has the molecular formula C32H25ClF2N2 and a molecular weight of 511.02 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
PubChem CID139429459
Molecular FormulaC32H25ClF2N2
Molecular Weight511.02 g/mol
Exact Mass510.17
IUPAC Name5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C32H25ClF2N2/c33-28-18-24(3-1-22-5-15-31(36-20-22)26-7-11-29(34)12-8-26)17-25(19-28)4-2-23-6-16-32(37-21-23)27-9-13-30(35)14-10-27/h5-21H,1-4H2
InChIKeyAIIMNLRQFLGQNP-UHFFFAOYSA-N
XLogP8.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.02
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine (CID 139429459) is 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(CCc3cc(Cl)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1.
What is the InChIKey of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is AIIMNLRQFLGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClF2N2/c33-28-18-24(3-1-22-5-15-31(36-20-22)26-7-11-29(34)12-8-26)17-25(19-28)4-2-23-6-16-32(37-21-23)27-9-13-30(35)14-10-27/h5-21H,1-4H2.
What are the key properties of 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 511.02 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-chloro-5-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 139429459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).