4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine

C49H32F6N2 — CID 139500882

IUPAC4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine
SMILESFC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)C(F)(F)F
InChIInChI=1S/C49H32F6N2/c50-48(51,52)47(49(53,54)55,41-25-21-33(22-26-41)39-29-43(35-13-5-1-6-14-35)56-44(30-39)36-15-7-2-8-16-36)42-27-23-34(24-28-42)40-31-45(37-17-9-3-10-18-37)57-46(32-40)38-19-11-4-12-20-38/h1-32H
InChIKeyHMAODCODOQLPCS-UHFFFAOYSA-N
MW762.80 g/mol
LogP13.89
Rot. Bonds8

About 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine

4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine (PubChem CID 139500882) has the molecular formula C49H32F6N2 and a molecular weight of 762.80 g/mol. Its IUPAC name is 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine
PubChem CID139500882
Molecular FormulaC49H32F6N2
Molecular Weight762.80 g/mol
Exact Mass762.25
IUPAC Name4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine
SMILESFC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)C(F)(F)F
InChIInChI=1S/C49H32F6N2/c50-48(51,52)47(49(53,54)55,41-25-21-33(22-26-41)39-29-43(35-13-5-1-6-14-35)56-44(30-39)36-15-7-2-8-16-36)42-27-23-34(24-28-42)40-31-45(37-17-9-3-10-18-37)57-46(32-40)38-19-11-4-12-20-38/h1-32H
InChIKeyHMAODCODOQLPCS-UHFFFAOYSA-N
XLogP13.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.80
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine (CID 139500882) is 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine is FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1)C(F)(F)F.
What is the InChIKey of 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine?
The InChIKey is HMAODCODOQLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32F6N2/c50-48(51,52)47(49(53,54)55,41-25-21-33(22-26-41)39-29-43(35-13-5-1-6-14-35)56-44(30-39)36-15-7-2-8-16-36)42-27-23-34(24-28-42)40-31-45(37-17-9-3-10-18-37)57-46(32-40)38-19-11-4-12-20-38/h1-32H.
What are the key properties of 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine?
4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine has a molecular weight of 762.80 g/mol, XLogP of 13.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 139500882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).