2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine

C44H32F6N4 — CID 89005636

IUPAC2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C44H32F6N4/c1-3-27-13-11-23-51-41(27)39-21-9-19-37(53-39)33-25-32(30-16-6-8-18-36(30)44(48,49)50)34(26-31(33)29-15-5-7-17-35(29)43(45,46)47)38-20-10-22-40(54-38)42-28(4-2)14-12-24-52-42/h5-26H,3-4H2,1-2H3
InChIKeyKGLTWMLFLNQBGN-UHFFFAOYSA-N
MW730.76 g/mol
LogP12.43
Rot. Bonds8

About 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine

2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 89005636) has the molecular formula C44H32F6N4 and a molecular weight of 730.76 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID89005636
Molecular FormulaC44H32F6N4
Molecular Weight730.76 g/mol
Exact Mass730.25
IUPAC Name2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C44H32F6N4/c1-3-27-13-11-23-51-41(27)39-21-9-19-37(53-39)33-25-32(30-16-6-8-18-36(30)44(48,49)50)34(26-31(33)29-15-5-7-17-35(29)43(45,46)47)38-20-10-22-40(54-38)42-28(4-2)14-12-24-52-42/h5-26H,3-4H2,1-2H3
InChIKeyKGLTWMLFLNQBGN-UHFFFAOYSA-N
XLogP12.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.76
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (CID 89005636) is 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is CCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is KGLTWMLFLNQBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32F6N4/c1-3-27-13-11-23-51-41(27)39-21-9-19-37(53-39)33-25-32(30-16-6-8-18-36(30)44(48,49)50)34(26-31(33)29-15-5-7-17-35(29)43(45,46)47)38-20-10-22-40(54-38)42-28(4-2)14-12-24-52-42/h5-26H,3-4H2,1-2H3.
What are the key properties of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 730.76 g/mol, XLogP of 12.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89005636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).