N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane

C33H23F15N4O2 — CID 139170854

IUPACN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane
SMILESC1CCOC1.O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C29H15F15N4O.C4H8O/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(49)47-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-45-18)48-21(14-16)19-6-2-4-12-46-19;1-2-4-5-3-1/h1-14H,(H,47,49);1-4H2
InChIKeyOBPSARVXSDNFEG-UHFFFAOYSA-N
MW792.54 g/mol
LogP9.98
Rot. Bonds10

About N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane

N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane (PubChem CID 139170854) has the molecular formula C33H23F15N4O2 and a molecular weight of 792.54 g/mol. Its IUPAC name is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane.

Molecular Properties

Compound NameN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane
PubChem CID139170854
Molecular FormulaC33H23F15N4O2
Molecular Weight792.54 g/mol
Exact Mass792.16
IUPAC NameN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane
SMILESC1CCOC1.O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C29H15F15N4O.C4H8O/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(49)47-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-45-18)48-21(14-16)19-6-2-4-12-46-19;1-2-4-5-3-1/h1-14H,(H,47,49);1-4H2
InChIKeyOBPSARVXSDNFEG-UHFFFAOYSA-N
XLogP9.98
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.54
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane?
The IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane (CID 139170854) is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane.
What is the SMILES notation for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane?
The canonical SMILES for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane is C1CCOC1.O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane?
The InChIKey is OBPSARVXSDNFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15F15N4O.C4H8O/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(49)47-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-45-18)48-21(14-16)19-6-2-4-12-46-19;1-2-4-5-3-1/h1-14H,(H,47,49);1-4H2.
What are the key properties of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane?
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane has a molecular weight of 792.54 g/mol, XLogP of 9.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide;oxolane is sourced from PubChem (CID 139170854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).