2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine

C29H23F6N — CID 143474512

IUPAC2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine
SMILESCCc1ccc(C(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)cc1C(F)(F)F
InChIInChI=1S/C29H23F6N/c1-2-21-14-15-23(18-25(21)29(33,34)35)27(26-13-6-7-16-36-26,19-20-9-4-3-5-10-20)22-11-8-12-24(17-22)28(30,31)32/h3-18H,2,19H2,1H3
InChIKeyKMVLZFVVPNMUPM-UHFFFAOYSA-N
MW499.50 g/mol
LogP8.26
Rot. Bonds6

About 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine

2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine (PubChem CID 143474512) has the molecular formula C29H23F6N and a molecular weight of 499.50 g/mol. Its IUPAC name is 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine
PubChem CID143474512
Molecular FormulaC29H23F6N
Molecular Weight499.50 g/mol
Exact Mass499.17
IUPAC Name2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine
SMILESCCc1ccc(C(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)cc1C(F)(F)F
InChIInChI=1S/C29H23F6N/c1-2-21-14-15-23(18-25(21)29(33,34)35)27(26-13-6-7-16-36-26,19-20-9-4-3-5-10-20)22-11-8-12-24(17-22)28(30,31)32/h3-18H,2,19H2,1H3
InChIKeyKMVLZFVVPNMUPM-UHFFFAOYSA-N
XLogP8.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-phenyl-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 143473581
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 143473951
N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 58921319
methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea;ethane
CID 143473684
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948
1-(4-cyanophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58921600
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58920992
2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
CID 23584919

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine?
The IUPAC name of 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine (CID 143474512) is 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine is CCc1ccc(C(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccccn2)cc1C(F)(F)F.
What is the InChIKey of 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine?
The InChIKey is KMVLZFVVPNMUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F6N/c1-2-21-14-15-23(18-25(21)29(33,34)35)27(26-13-6-7-16-36-26,19-20-9-4-3-5-10-20)22-11-8-12-24(17-22)28(30,31)32/h3-18H,2,19H2,1H3.
What are the key properties of 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine?
2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine has a molecular weight of 499.50 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 143474512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).