4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine

C42H36F20N2O4 — CID 132565560

IUPAC4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)CCCOc1cc(OCCCC(F)(F)C(F)(F)F)cc(-c2ccnc(-c3cc(-c4cc(OCCCC(F)(F)C(F)(F)F)cc(OCCCC(F)(F)C(F)(F)F)c4)ccn3)c2)c1
InChIInChI=1S/C42H36F20N2O4/c43-35(44,39(51,52)53)7-1-13-65-29-17-27(18-30(23-29)66-14-2-8-36(45,46)40(54,55)56)25-5-11-63-33(21-25)34-22-26(6-12-64-34)28-19-31(67-15-3-9-37(47,48)41(57,58)59)24-32(20-28)68-16-4-10-38(49,50)42(60,61)62/h5-6,11-12,17-24H,1-4,7-10,13-16H2
InChIKeyNSCXKFCQQPWFGG-UHFFFAOYSA-N
MW1012.72 g/mol
LogP14.90
Rot. Bonds23

About 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine

4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine (PubChem CID 132565560) has the molecular formula C42H36F20N2O4 and a molecular weight of 1012.72 g/mol. Its IUPAC name is 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
PubChem CID132565560
Molecular FormulaC42H36F20N2O4
Molecular Weight1012.72 g/mol
Exact Mass1012.24
IUPAC Name4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)CCCOc1cc(OCCCC(F)(F)C(F)(F)F)cc(-c2ccnc(-c3cc(-c4cc(OCCCC(F)(F)C(F)(F)F)cc(OCCCC(F)(F)C(F)(F)F)c4)ccn3)c2)c1
InChIInChI=1S/C42H36F20N2O4/c43-35(44,39(51,52)53)7-1-13-65-29-17-27(18-30(23-29)66-14-2-8-36(45,46)40(54,55)56)25-5-11-63-33(21-25)34-22-26(6-12-64-34)28-19-31(67-15-3-9-37(47,48)41(57,58)59)24-32(20-28)68-16-4-10-38(49,50)42(60,61)62/h5-6,11-12,17-24H,1-4,7-10,13-16H2
InChIKeyNSCXKFCQQPWFGG-UHFFFAOYSA-N
XLogP14.90
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.72
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

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3-(3,5-Dimethoxyphenyl)-7-methoxyisoquinoline
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3-[4-Methoxy-2-(2-phenylethoxy)phenyl]pyridine
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6-(3,4,5-Trimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
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7-[4-(4-Fluoro-phenyl)-1-methyl-butyl]-5-methoxy-10,10-dimethyl-3-pyridin-2-ylmethyl-2,3,4,10-tetrahydro-1H-9-oxa-3-aza-phenanthrene
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CID 25058376
2-[[3-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
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2-[[5-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145991436

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine (CID 132565560) is 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine is FC(F)(F)C(F)(F)CCCOc1cc(OCCCC(F)(F)C(F)(F)F)cc(-c2ccnc(-c3cc(-c4cc(OCCCC(F)(F)C(F)(F)F)cc(OCCCC(F)(F)C(F)(F)F)c4)ccn3)c2)c1.
What is the InChIKey of 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
The InChIKey is NSCXKFCQQPWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36F20N2O4/c43-35(44,39(51,52)53)7-1-13-65-29-17-27(18-30(23-29)66-14-2-8-36(45,46)40(54,55)56)25-5-11-63-33(21-25)34-22-26(6-12-64-34)28-19-31(67-15-3-9-37(47,48)41(57,58)59)24-32(20-28)68-16-4-10-38(49,50)42(60,61)62/h5-6,11-12,17-24H,1-4,7-10,13-16H2.
What are the key properties of 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine?
4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine has a molecular weight of 1012.72 g/mol, XLogP of 14.90, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-[4-[3,5-bis(4,4,5,5,5-pentafluoropentoxy)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 132565560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).