5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine

C41H48N2O6 — CID 23527516

IUPAC5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine
SMILESC=COCCCCCCOc1ccc(Cc2ccc3c(c2)Cc2cc(OCOc4ccc(OCCCCCCOC=C)cn4)ccc2-3)nc1
InChIInChI=1S/C41H48N2O6/c1-3-44-21-9-5-7-11-23-46-37-15-14-35(42-29-37)26-32-13-18-39-33(25-32)27-34-28-36(16-19-40(34)39)48-31-49-41-20-17-38(30-43-41)47-24-12-8-6-10-22-45-4-2/h3-4,13-20,25,28-30H,1-2,5-12,21-24,26-27,31H2
InChIKeyCQHLNWKCMAUYRH-UHFFFAOYSA-N
MW664.84 g/mol
LogP9.25
Rot. Bonds24

About 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine

5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine (PubChem CID 23527516) has the molecular formula C41H48N2O6 and a molecular weight of 664.84 g/mol. Its IUPAC name is 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine.

Molecular Properties

Compound Name5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine
PubChem CID23527516
Molecular FormulaC41H48N2O6
Molecular Weight664.84 g/mol
Exact Mass664.35
IUPAC Name5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine
SMILESC=COCCCCCCOc1ccc(Cc2ccc3c(c2)Cc2cc(OCOc4ccc(OCCCCCCOC=C)cn4)ccc2-3)nc1
InChIInChI=1S/C41H48N2O6/c1-3-44-21-9-5-7-11-23-46-37-15-14-35(42-29-37)26-32-13-18-39-33(25-32)27-34-28-36(16-19-40(34)39)48-31-49-41-20-17-38(30-43-41)47-24-12-8-6-10-22-45-4-2/h3-4,13-20,25,28-30H,1-2,5-12,21-24,26-27,31H2
InChIKeyCQHLNWKCMAUYRH-UHFFFAOYSA-N
XLogP9.25
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.84
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine with MolForge

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Related Compounds

3-Fluoro-5-octoxy-2-(6-octoxynaphthalen-2-yl)pyridine
CID 19387556
5-(6-Ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine
CID 23527515
6-[[6-[[9,9-Difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl]methyl]-3-pyridinyl]oxy]hexyl prop-2-enoate
CID 23527535
2-[3-[3-Benzyl-2-fluoro-4-(3-pyridin-3-yloxyphenyl)phenyl]phenoxy]pyridine
CID 54278905
[7-[[5-(5-Ethenoxypentoxy)-2-pyridinyl]oxymethoxy]-9,9-difluorofluoren-2-yl] 5-(6-ethenoxyhexoxy)pyridine-2-carboxylate
CID 57923830
[9,9-Difluoro-7-[[5-(6-prop-2-enoyloxyhexoxy)-2-pyridinyl]oxymethoxy]fluoren-2-yl] 5-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylate
CID 59768879
1-Fluoro-3-octoxy-7-(5-octoxy-2-pyridinyl)isoquinoline
CID 70339313
5-(2-Cyclohexylideneethoxy)-2-[(3-fluoro-2,6-dimethyl-4-phenylmethoxyphenyl)methyl]pyridine
CID 88360969
2-[(3-Fluoro-2,6-dimethyl-4-phenylmethoxyphenyl)methyl]-5-(methoxymethoxy)pyridine
CID 88360971
5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9,9-difluorofluoren-2-yl]oxymethoxy]pyridine;2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
CID 91503059
2-[1-[5-Decyl-2-[(6-fluoro-3-pyridinyl)oxy]phenyl]decyl]-5-(4-fluorophenoxy)pyridine
CID 123661582
2-[2,7-Ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
CID 132520058

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine?
The IUPAC name of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine (CID 23527516) is 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine.
What is the SMILES notation for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine?
The canonical SMILES for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine is C=COCCCCCCOc1ccc(Cc2ccc3c(c2)Cc2cc(OCOc4ccc(OCCCCCCOC=C)cn4)ccc2-3)nc1.
What is the InChIKey of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine?
The InChIKey is CQHLNWKCMAUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N2O6/c1-3-44-21-9-5-7-11-23-46-37-15-14-35(42-29-37)26-32-13-18-39-33(25-32)27-34-28-36(16-19-40(34)39)48-31-49-41-20-17-38(30-43-41)47-24-12-8-6-10-22-45-4-2/h3-4,13-20,25,28-30H,1-2,5-12,21-24,26-27,31H2.
What are the key properties of 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine?
5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine has a molecular weight of 664.84 g/mol, XLogP of 9.25, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethenoxyhexoxy)-2-[[7-[[5-(6-ethenoxyhexoxy)-2-pyridinyl]methyl]-9H-fluoren-2-yl]oxymethoxy]pyridine is sourced from PubChem (CID 23527516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).