3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine

C55H37F5N2 — CID 163531289

IUPAC3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine
SMILESCC(F)(F)c1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)c3C(F)(F)F)cc2)cc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C55H37F5N2/c1-54(56,57)50-46(34-48(61-52(50)44-18-10-4-11-19-44)42-30-22-38(23-31-42)36-14-6-2-7-15-36)40-26-28-41(29-27-40)47-35-49(43-32-24-39(25-33-43)37-16-8-3-9-17-37)62-53(51(47)55(58,59)60)45-20-12-5-13-21-45/h2-35H,1H3
InChIKeyDTFFGOVCKUQUCX-UHFFFAOYSA-N
MW820.91 g/mol
LogP15.94
Rot. Bonds9

About 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine

3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine (PubChem CID 163531289) has the molecular formula C55H37F5N2 and a molecular weight of 820.91 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine
PubChem CID163531289
Molecular FormulaC55H37F5N2
Molecular Weight820.91 g/mol
Exact Mass820.29
IUPAC Name3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine
SMILESCC(F)(F)c1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)c3C(F)(F)F)cc2)cc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C55H37F5N2/c1-54(56,57)50-46(34-48(61-52(50)44-18-10-4-11-19-44)42-30-22-38(23-31-42)36-14-6-2-7-15-36)40-26-28-41(29-27-40)47-35-49(43-32-24-39(25-33-43)37-16-8-3-9-17-37)62-53(51(47)55(58,59)60)45-20-12-5-13-21-45/h2-35H,1H3
InChIKeyDTFFGOVCKUQUCX-UHFFFAOYSA-N
XLogP15.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.91
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2,4,6-Triphenylpyridine
CID 136370
1-Methyl-2,4,6-triphenylpyridinium tetrafluoroborate
CID 12377995
2,6-Bis(p-tolyl)pyridine
CID 84435
2,4,6-Tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
CID 12627143
2-(4-Methylphenyl)-1,4,6-triphenylpyridin-1-ium perchlorate
CID 12627144
2,4,6-Tris(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyridin-1-ium perchlorate
CID 12647563
1-Methyl-2,6-bis[2-(4-phenylphenyl)ethynyl]pyridin-1-ium
CID 71606232
1-Methyl-2,6-bis[2-(4-phenylphenyl)ethyl]pyridin-1-ium
CID 122181622
3,4,8-Tris(4-methylphenyl)-2-(trifluoromethyl)quinoline
CID 145950387
4-(Difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
CID 162649846
1,2,4,6-Tetraphenylpyridin-1-ium
CID 3124420

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine (CID 163531289) is 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine is CC(F)(F)c1c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)c3C(F)(F)F)cc2)cc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine?
The InChIKey is DTFFGOVCKUQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37F5N2/c1-54(56,57)50-46(34-48(61-52(50)44-18-10-4-11-19-44)42-30-22-38(23-31-42)36-14-6-2-7-15-36)40-26-28-41(29-27-40)47-35-49(43-32-24-39(25-33-43)37-16-8-3-9-17-37)62-53(51(47)55(58,59)60)45-20-12-5-13-21-45/h2-35H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine?
3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine has a molecular weight of 820.91 g/mol, XLogP of 15.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2-phenyl-6-(4-phenylphenyl)-4-[4-[2-phenyl-6-(4-phenylphenyl)-3-(trifluoromethyl)-4-pyridinyl]phenyl]pyridine is sourced from PubChem (CID 163531289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).