2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine

C44H54F2N2O — CID 140976261

IUPAC2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1
InChIInChI=1S/C44H54F2N2O/c1-3-5-31-7-11-33(12-8-31)39-19-21-43(47-29-39)37-17-15-35(41(45)27-37)23-25-49-26-24-36-16-18-38(28-42(36)46)44-22-20-40(30-48-44)34-13-9-32(6-4-2)10-14-34/h15-22,27-34H,3-14,23-26H2,1-2H3
InChIKeyYLNSIHGGLNWSKI-UHFFFAOYSA-N
MW664.92 g/mol
LogP12.04
Rot. Bonds14

About 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine

2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine (PubChem CID 140976261) has the molecular formula C44H54F2N2O and a molecular weight of 664.92 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine
PubChem CID140976261
Molecular FormulaC44H54F2N2O
Molecular Weight664.92 g/mol
Exact Mass664.42
IUPAC Name2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine
SMILESCCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1
InChIInChI=1S/C44H54F2N2O/c1-3-5-31-7-11-33(12-8-31)39-19-21-43(47-29-39)37-17-15-35(41(45)27-37)23-25-49-26-24-36-16-18-38(28-42(36)46)44-22-20-40(30-48-44)34-13-9-32(6-4-2)10-14-34/h15-22,27-34H,3-14,23-26H2,1-2H3
InChIKeyYLNSIHGGLNWSKI-UHFFFAOYSA-N
XLogP12.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.92
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-(tetrahydro-2H-pyran-4-yl)phenyl)pyridine
CID 170633578
chromium;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116951
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);manganese;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116952
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);iron;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116953
cobalt;bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116954
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);nickel;oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139116955
bis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);oxolane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;zinc
CID 139116956
2-[(1S,2S)-1,2-bis(4-fluorophenyl)-2-pyridin-2-ylethyl]pyridine
CID 139188402
4-(4-Fluorophenyl)-6-p-tolyl-2,2'-bipyridine
CID 139238578
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine?
The IUPAC name of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine (CID 140976261) is 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine.
What is the SMILES notation for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine?
The canonical SMILES for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine is CCCC1CCC(c2ccc(-c3ccc(CCOCCc4ccc(-c5ccc(C6CCC(CCC)CC6)cn5)cc4F)c(F)c3)nc2)CC1.
What is the InChIKey of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine?
The InChIKey is YLNSIHGGLNWSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54F2N2O/c1-3-5-31-7-11-33(12-8-31)39-19-21-43(47-29-39)37-17-15-35(41(45)27-37)23-25-49-26-24-36-16-18-38(28-42(36)46)44-22-20-40(30-48-44)34-13-9-32(6-4-2)10-14-34/h15-22,27-34H,3-14,23-26H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine?
2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine has a molecular weight of 664.92 g/mol, XLogP of 12.04, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-[2-[2-fluoro-4-[5-(4-propylcyclohexyl)-2-pyridinyl]phenyl]ethoxy]ethyl]phenyl]-5-(4-propylcyclohexyl)pyridine is sourced from PubChem (CID 140976261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).