4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine

C32H26F10N2O2 — CID 132565552

IUPAC4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)CCCOc1ccc(-c2ccnc(-c3cc(-c4ccc(OCCCC(F)(F)C(F)(F)F)cc4)ccn3)c2)cc1
InChIInChI=1S/C32H26F10N2O2/c33-29(34,31(37,38)39)13-1-17-45-25-7-3-21(4-8-25)23-11-15-43-27(19-23)28-20-24(12-16-44-28)22-5-9-26(10-6-22)46-18-2-14-30(35,36)32(40,41)42/h3-12,15-16,19-20H,1-2,13-14,17-18H2
InChIKeyGPSWLOWTMCITMI-UHFFFAOYSA-N
MW660.55 g/mol
LogP10.19
Rot. Bonds13

About 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine

4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine (PubChem CID 132565552) has the molecular formula C32H26F10N2O2 and a molecular weight of 660.55 g/mol. Its IUPAC name is 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
PubChem CID132565552
Molecular FormulaC32H26F10N2O2
Molecular Weight660.55 g/mol
Exact Mass660.18
IUPAC Name4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)CCCOc1ccc(-c2ccnc(-c3cc(-c4ccc(OCCCC(F)(F)C(F)(F)F)cc4)ccn3)c2)cc1
InChIInChI=1S/C32H26F10N2O2/c33-29(34,31(37,38)39)13-1-17-45-25-7-3-21(4-8-25)23-11-15-43-27(19-23)28-20-24(12-16-44-28)22-5-9-26(10-6-22)46-18-2-14-30(35,36)32(40,41)42/h3-12,15-16,19-20H,1-2,13-14,17-18H2
InChIKeyGPSWLOWTMCITMI-UHFFFAOYSA-N
XLogP10.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.55
LogP ≤ 510.19
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'}

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Related Compounds

4-(4,4,5,5,5-pentafluoropentoxy)benzonitrile
CID 98041773
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789
3,5-bis[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecoxy)phenyl]-1,2-oxazole
CID 122376198
1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
CID 141301748
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
CID 132565558
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
1-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-N-[4-[4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]methylideneamino]phenyl]phenyl]methanimine
CID 102041852
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
4-[4-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)phenyl]phenol
CID 22465771
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine (CID 132565552) is 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine is FC(F)(F)C(F)(F)CCCOc1ccc(-c2ccnc(-c3cc(-c4ccc(OCCCC(F)(F)C(F)(F)F)cc4)ccn3)c2)cc1.
What is the InChIKey of 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The InChIKey is GPSWLOWTMCITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F10N2O2/c33-29(34,31(37,38)39)13-1-17-45-25-7-3-21(4-8-25)23-11-15-43-27(19-23)28-20-24(12-16-44-28)22-5-9-26(10-6-22)46-18-2-14-30(35,36)32(40,41)42/h3-12,15-16,19-20H,1-2,13-14,17-18H2.
What are the key properties of 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine has a molecular weight of 660.55 g/mol, XLogP of 10.19, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 132565552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).