5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine

C32H32N2O4 — CID 90955986

IUPAC5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine
SMILESC=CCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCC=C)cn2)nc1
InChIInChI=1S/C32H32N2O4/c1-3-17-35-19-21-37-31-11-7-5-9-27(31)25-13-15-29(33-23-25)30-16-14-26(24-34-30)28-10-6-8-12-32(28)38-22-20-36-18-4-2/h3-16,23-24H,1-2,17-22H2
InChIKeyFLGVXZLWRBDSAP-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.64
Rot. Bonds15

About 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine

5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine (PubChem CID 90955986) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine
PubChem CID90955986
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine
SMILESC=CCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCC=C)cn2)nc1
InChIInChI=1S/C32H32N2O4/c1-3-17-35-19-21-37-31-11-7-5-9-27(31)25-13-15-29(33-23-25)30-16-14-26(24-34-30)28-10-6-8-12-32(28)38-22-20-36-18-4-2/h3-16,23-24H,1-2,17-22H2
InChIKeyFLGVXZLWRBDSAP-UHFFFAOYSA-N
XLogP6.64
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 10287639
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2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
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1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
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CID 162666847
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CID 42631043
5-(4-Phenoxybutoxy)isoquinoline
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4-(Diphenylmethyl)-alpha-((quinolinyloxy)methyl)-1-piperazinoethanol
CID 195634
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
1-Phenethyl-2-[4-(3-piperidinylpropoxy)phenyl]-indolizine
CID 10114059
1-(4-Benzhydrylpiperazin-1-yl)-3-isoquinolin-5-yloxypropan-2-ol
CID 10479087
2-{3-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxy]-prop-1-ynyl}-pyridine (0.1 hydrate)
CID 14985911

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine (CID 90955986) is 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine is C=CCOCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCOCC=C)cn2)nc1.
What is the InChIKey of 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine?
The InChIKey is FLGVXZLWRBDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-3-17-35-19-21-37-31-11-7-5-9-27(31)25-13-15-29(33-23-25)30-16-14-26(24-34-30)28-10-6-8-12-32(28)38-22-20-36-18-4-2/h3-16,23-24H,1-2,17-22H2.
What are the key properties of 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine?
5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine has a molecular weight of 508.62 g/mol, XLogP of 6.64, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-[5-[2-(2-prop-2-enoxyethoxy)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 90955986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).