3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine

C59H39F4N5O — CID 165148498

IUPAC3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)nc5F)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c(c4)oc4ccccc45)c3)cn2)c(F)n1
InChIInChI=1S/C59H39F4N5O/c60-56-26-22-47(58(62)67-56)51-24-18-36(33-64-51)14-16-38-28-39(17-15-37-19-25-52(65-34-37)48-23-27-57(61)68-59(48)63)30-42(29-38)43-10-4-5-11-44(43)50-35-66-53(40-8-2-1-3-9-40)32-49(50)41-20-21-46-45-12-6-7-13-54(45)69-55(46)31-41/h1-13,18-35H,14-17H2
InChIKeyYJLDDQWONUIYSY-UHFFFAOYSA-N
MW909.99 g/mol
LogP14.69
Rot. Bonds12

About 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine

3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine (PubChem CID 165148498) has the molecular formula C59H39F4N5O and a molecular weight of 909.99 g/mol. Its IUPAC name is 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine
PubChem CID165148498
Molecular FormulaC59H39F4N5O
Molecular Weight909.99 g/mol
Exact Mass909.31
IUPAC Name3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)nc5F)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c(c4)oc4ccccc45)c3)cn2)c(F)n1
InChIInChI=1S/C59H39F4N5O/c60-56-26-22-47(58(62)67-56)51-24-18-36(33-64-51)14-16-38-28-39(17-15-37-19-25-52(65-34-37)48-23-27-57(61)68-59(48)63)30-42(29-38)43-10-4-5-11-44(43)50-35-66-53(40-8-2-1-3-9-40)32-49(50)41-20-21-46-45-12-6-7-13-54(45)69-55(46)31-41/h1-13,18-35H,14-17H2
InChIKeyYJLDDQWONUIYSY-UHFFFAOYSA-N
XLogP14.69
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.99
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine?
The IUPAC name of 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine (CID 165148498) is 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine.
What is the SMILES notation for 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine?
The canonical SMILES for 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine is Fc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)nc5F)nc4)cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccc5c(c4)oc4ccccc45)c3)cn2)c(F)n1.
What is the InChIKey of 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine?
The InChIKey is YJLDDQWONUIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39F4N5O/c60-56-26-22-47(58(62)67-56)51-24-18-36(33-64-51)14-16-38-28-39(17-15-37-19-25-52(65-34-37)48-23-27-57(61)68-59(48)63)30-42(29-38)43-10-4-5-11-44(43)50-35-66-53(40-8-2-1-3-9-40)32-49(50)41-20-21-46-45-12-6-7-13-54(45)69-55(46)31-41/h1-13,18-35H,14-17H2.
What are the key properties of 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine?
3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine has a molecular weight of 909.99 g/mol, XLogP of 14.69, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[3-[2-(4-dibenzofuran-3-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-(2,6-difluoro-3-pyridinyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-pyridinyl]-2,6-difluoropyridine is sourced from PubChem (CID 165148498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).