2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine

C50H32F3N5 — CID 71127808

IUPAC2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)c2)nc1
InChIInChI=1S/C50H32F3N5/c51-50(52,53)36-25-26-43(56-32-36)40-16-4-1-13-37(40)33-29-34(38-14-2-5-17-41(38)44-21-11-23-48(57-44)46-19-7-9-27-54-46)31-35(30-33)39-15-3-6-18-42(39)45-22-12-24-49(58-45)47-20-8-10-28-55-47/h1-32H
InChIKeyXOYAHMGVLVDBFH-UHFFFAOYSA-N
MW759.84 g/mol
LogP13.02
Rot. Bonds8

About 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine

2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 71127808) has the molecular formula C50H32F3N5 and a molecular weight of 759.84 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
PubChem CID71127808
Molecular FormulaC50H32F3N5
Molecular Weight759.84 g/mol
Exact Mass759.26
IUPAC Name2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)c2)nc1
InChIInChI=1S/C50H32F3N5/c51-50(52,53)36-25-26-43(56-32-36)40-16-4-1-13-37(40)33-29-34(38-14-2-5-17-41(38)44-21-11-23-48(57-44)46-19-7-9-27-54-46)31-35(30-33)39-15-3-6-18-42(39)45-22-12-24-49(58-45)47-20-8-10-28-55-47/h1-32H
InChIKeyXOYAHMGVLVDBFH-UHFFFAOYSA-N
XLogP13.02
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.84
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine (CID 71127808) is 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)cc(-c3ccccc3-c3cccc(-c4ccccn4)n3)c2)nc1.
What is the InChIKey of 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is XOYAHMGVLVDBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F3N5/c51-50(52,53)36-25-26-43(56-32-36)40-16-4-1-13-37(40)33-29-34(38-14-2-5-17-41(38)44-21-11-23-48(57-44)46-19-7-9-27-54-46)31-35(30-33)39-15-3-6-18-42(39)45-22-12-24-49(58-45)47-20-8-10-28-55-47/h1-32H.
What are the key properties of 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine?
2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 759.84 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71127808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).