4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine

C32H20F17N3O — CID 132597360

IUPAC4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H20F17N3O/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)12-5-15-53-20-10-8-18(9-11-20)19-16-23(21-6-1-3-13-50-21)52-24(17-19)22-7-2-4-14-51-22/h1-4,6-11,13-14,16-17H,5,12,15H2
InChIKeyPAUCHAAKOWVPOC-UHFFFAOYSA-N
MW785.50 g/mol
LogP11.04
Rot. Bonds14

About 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 132597360) has the molecular formula C32H20F17N3O and a molecular weight of 785.50 g/mol. Its IUPAC name is 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID132597360
Molecular FormulaC32H20F17N3O
Molecular Weight785.50 g/mol
Exact Mass785.13
IUPAC Name4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H20F17N3O/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)12-5-15-53-20-10-8-18(9-11-20)19-16-23(21-6-1-3-13-50-21)52-24(17-19)22-7-2-4-14-51-22/h1-4,6-11,13-14,16-17H,5,12,15H2
InChIKeyPAUCHAAKOWVPOC-UHFFFAOYSA-N
XLogP11.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.50
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine (CID 132597360) is 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is PAUCHAAKOWVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F17N3O/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)12-5-15-53-20-10-8-18(9-11-20)19-16-23(21-6-1-3-13-50-21)52-24(17-19)22-7-2-4-14-51-22/h1-4,6-11,13-14,16-17H,5,12,15H2.
What are the key properties of 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 785.50 g/mol, XLogP of 11.04, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 132597360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).