2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine

C32H35ClFN — CID 139873801

IUPAC2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C32H35ClFN/c1-2-3-4-5-6-7-26-12-20-30(35-23-26)19-11-25-13-21-31-28(22-25)16-15-27(32(31)34)14-8-24-9-17-29(33)18-10-24/h9-10,12-13,15-18,20-23H,2-8,11,14,19H2,1H3
InChIKeyMRYAXMJWXYMEAS-UHFFFAOYSA-N
MW488.09 g/mol
LogP9.11
Rot. Bonds12

About 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine

2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine (PubChem CID 139873801) has the molecular formula C32H35ClFN and a molecular weight of 488.09 g/mol. Its IUPAC name is 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine.

Molecular Properties

Compound Name2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine
PubChem CID139873801
Molecular FormulaC32H35ClFN
Molecular Weight488.09 g/mol
Exact Mass487.24
IUPAC Name2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C32H35ClFN/c1-2-3-4-5-6-7-26-12-20-30(35-23-26)19-11-25-13-21-31-28(22-25)16-15-27(32(31)34)14-8-24-9-17-29(33)18-10-24/h9-10,12-13,15-18,20-23H,2-8,11,14,19H2,1H3
InChIKeyMRYAXMJWXYMEAS-UHFFFAOYSA-N
XLogP9.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.09
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzo(f)isoquinoline
CID 11401613
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
4-[6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033726
3-(9-Phenanthryl)pyridine
CID 11687499
4-[6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
CID 25033725
4-[6-(3,4-Difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
CID 25033808
2-(1-Benzylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155523802
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride
CID 25033734
3-[Bis-(4-chloro-phenyl)-fluoro-methyl]-pyridine
CID 44356402
13-Chloro-2-[1-[(3-methylphenyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155527187
(1R)-N-[(4-chlorophenyl)methyl]-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethanamine
CID 162671176
Quinoline, 4-(p-chlorostyryl)-
CID 5376660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine?
The IUPAC name of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine (CID 139873801) is 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine.
What is the SMILES notation for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine?
The canonical SMILES for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine is CCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine?
The InChIKey is MRYAXMJWXYMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClFN/c1-2-3-4-5-6-7-26-12-20-30(35-23-26)19-11-25-13-21-31-28(22-25)16-15-27(32(31)34)14-8-24-9-17-29(33)18-10-24/h9-10,12-13,15-18,20-23H,2-8,11,14,19H2,1H3.
What are the key properties of 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine?
2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine has a molecular weight of 488.09 g/mol, XLogP of 9.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptylpyridine is sourced from PubChem (CID 139873801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).