2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine

C39H34FN3O2 — CID 58621194

IUPAC2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine
SMILESCC(OCCOc1ccccn1)(c1cccc(-c2ccccc2)n1)c1cccc(C(C)(c2ccccc2)c2cccc(F)c2)n1
InChIInChI=1S/C39H34FN3O2/c1-38(30-16-7-4-8-17-30,31-18-11-19-32(40)28-31)34-21-13-23-36(43-34)39(2,45-27-26-44-37-24-9-10-25-41-37)35-22-12-20-33(42-35)29-14-5-3-6-15-29/h3-25,28H,26-27H2,1-2H3
InChIKeyPYVBBGOPTPJXAP-UHFFFAOYSA-N
MW595.72 g/mol
LogP8.39
Rot. Bonds11

About 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine

2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine (PubChem CID 58621194) has the molecular formula C39H34FN3O2 and a molecular weight of 595.72 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine
PubChem CID58621194
Molecular FormulaC39H34FN3O2
Molecular Weight595.72 g/mol
Exact Mass595.26
IUPAC Name2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine
SMILESCC(OCCOc1ccccn1)(c1cccc(-c2ccccc2)n1)c1cccc(C(C)(c2ccccc2)c2cccc(F)c2)n1
InChIInChI=1S/C39H34FN3O2/c1-38(30-16-7-4-8-17-30,31-18-11-19-32(40)28-31)34-21-13-23-36(43-34)39(2,45-27-26-44-37-24-9-10-25-41-37)35-22-12-20-33(42-35)29-14-5-3-6-15-29/h3-25,28H,26-27H2,1-2H3
InChIKeyPYVBBGOPTPJXAP-UHFFFAOYSA-N
XLogP8.39
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.72
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 4-[2-[[3-cyano-4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-pyridinyl]oxy]ethyl]piperazine-1-carboxylate
CID 154644681
N,N-diethyl-2-[4-[2-[5-(4-methoxyphenyl)-2-pyridinyl]ethyl]phenoxy]ethanamine
CID 122184569
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339
N-[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-1-(3-methoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 121413416
N-{4-[(3S)-2,3-dihydro[1,4]dioxino[2,3-b]pyridin-3-yl]benzyl}-N-methyl-2-(pyridin-2-yl)ethanamine
CID 66547453
3-(2-Phenylethoxy)-2-pyridin-3-ylpyridine
CID 118735184
3-(2-Phenylethoxy)-2-pyridin-4-ylpyridine
CID 118735185
4-[(3-Fluorophenyl)methyl]-3-phenyl-2-[(pyridin-2-yloxy)methyl]morpholine
CID 124075456
2-[[4-Fluoro-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145980781
2-[[3-Fluoro-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145987616
6-Methyl-2-phenyl-3-(pyridin-2-ylmethoxy)pyridine
CID 145993911
5-(4-Tert-butylphenyl)-2-(3-pyridin-2-ylpropoxy)pyridine
CID 155559786

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine?
The IUPAC name of 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine (CID 58621194) is 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine?
The canonical SMILES for 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine is CC(OCCOc1ccccn1)(c1cccc(-c2ccccc2)n1)c1cccc(C(C)(c2ccccc2)c2cccc(F)c2)n1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine?
The InChIKey is PYVBBGOPTPJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34FN3O2/c1-38(30-16-7-4-8-17-30,31-18-11-19-32(40)28-31)34-21-13-23-36(43-34)39(2,45-27-26-44-37-24-9-10-25-41-37)35-22-12-20-33(42-35)29-14-5-3-6-15-29/h3-25,28H,26-27H2,1-2H3.
What are the key properties of 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine?
2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine has a molecular weight of 595.72 g/mol, XLogP of 8.39, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-1-phenylethyl]-6-[1-(6-phenyl-2-pyridinyl)-1-(2-pyridin-2-yloxyethoxy)ethyl]pyridine is sourced from PubChem (CID 58621194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).