2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile

C31H21F3N2O2 — CID 142094305

IUPAC2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile
SMILESN#Cc1ccc(C(OCc2ccc(OC(F)(F)F)cc2)c2cccnc2)cc1-c1cccc2ccccc12
InChIInChI=1S/C31H21F3N2O2/c32-31(33,34)38-26-14-10-21(11-15-26)20-37-30(25-7-4-16-36-19-25)23-12-13-24(18-35)29(17-23)28-9-3-6-22-5-1-2-8-27(22)28/h1-17,19,30H,20H2
InChIKeyXXKWXQAXIVUPIY-UHFFFAOYSA-N
MW510.52 g/mol
LogP7.98
Rot. Bonds7

About 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile

2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile (PubChem CID 142094305) has the molecular formula C31H21F3N2O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile
PubChem CID142094305
Molecular FormulaC31H21F3N2O2
Molecular Weight510.52 g/mol
Exact Mass510.16
IUPAC Name2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile
SMILESN#Cc1ccc(C(OCc2ccc(OC(F)(F)F)cc2)c2cccnc2)cc1-c1cccc2ccccc12
InChIInChI=1S/C31H21F3N2O2/c32-31(33,34)38-26-14-10-21(11-15-26)20-37-30(25-7-4-16-36-19-25)23-12-13-24(18-35)29(17-23)28-9-3-6-22-5-1-2-8-27(22)28/h1-17,19,30H,20H2
InChIKeyXXKWXQAXIVUPIY-UHFFFAOYSA-N
XLogP7.98
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-(Methoxymethyl)-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034491
3-(1-Methoxyethyl)-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034493
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-[6-(Benzyloxy)-2-naphthyl]pyridine
CID 11702331
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492
3-Amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 3742452
2-amino-4-(3-pyridinyl)-4H-benzo[g]chromene-3-carbonitrile
CID 5260621
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile?
The IUPAC name of 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile (CID 142094305) is 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile.
What is the SMILES notation for 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile?
The canonical SMILES for 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile is N#Cc1ccc(C(OCc2ccc(OC(F)(F)F)cc2)c2cccnc2)cc1-c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile?
The InChIKey is XXKWXQAXIVUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F3N2O2/c32-31(33,34)38-26-14-10-21(11-15-26)20-37-30(25-7-4-16-36-19-25)23-12-13-24(18-35)29(17-23)28-9-3-6-22-5-1-2-8-27(22)28/h1-17,19,30H,20H2.
What are the key properties of 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile?
2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile has a molecular weight of 510.52 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[pyridin-3-yl-[[4-(trifluoromethoxy)phenyl]methoxy]methyl]benzonitrile is sourced from PubChem (CID 142094305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).