2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine

C32H35F2N — CID 139873357

IUPAC2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C32H35F2N/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
InChIKeyHHGUFIHHKLXYCI-UHFFFAOYSA-N
MW471.64 g/mol
LogP8.60
Rot. Bonds12

About 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine

2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine (PubChem CID 139873357) has the molecular formula C32H35F2N and a molecular weight of 471.64 g/mol. Its IUPAC name is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine.

Molecular Properties

Compound Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine
PubChem CID139873357
Molecular FormulaC32H35F2N
Molecular Weight471.64 g/mol
Exact Mass471.27
IUPAC Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C32H35F2N/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
InChIKeyHHGUFIHHKLXYCI-UHFFFAOYSA-N
XLogP8.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 58.60
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

2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
CID 139873560
4-[2-[1-fluoro-6-[2-(5-pentyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139872483
2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
CID 139872467
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyridine
CID 139872473
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptoxypyridine
CID 139874697
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139873484
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
4-[2-[1-fluoro-6-[2-[5-(3-methoxypropyl)-2-pyridinyl]ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139870733
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139871614
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentoxypyridine
CID 139873909

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine?
The IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine (CID 139873357) is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine.
What is the SMILES notation for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine?
The canonical SMILES for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine is CCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine?
The InChIKey is HHGUFIHHKLXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N/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-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine?
2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine has a molecular weight of 471.64 g/mol, XLogP of 8.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine is sourced from PubChem (CID 139873357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).