[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate

C29H24N2O3 — CID 59600821

IUPAC[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C=Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27/h2-19H,1,20-21H2
InChIKeyKYGVNWLTWIOEQV-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.12
Rot. Bonds9

About [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate

[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate (PubChem CID 59600821) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate
PubChem CID59600821
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C=Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27/h2-19H,1,20-21H2
InChIKeyKYGVNWLTWIOEQV-UHFFFAOYSA-N
XLogP6.12
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[2-[4-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl (E)-3-phenylprop-2-enoate
CID 23251865
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;[4-[(E)-2-[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]methanol;2-pyridin-2-ylpyridine;ruthenium
CID 166511335
(4-methoxyphenyl)methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 98716837
[4-[4-(prop-2-enoyloxymethyl)-N-pyridin-2-ylanilino]phenyl]methyl prop-2-enoate
CID 59935337
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
CID 159481428
CID 159481428
anthracen-2-ylmethyl prop-2-enoate
CID 163424587
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
4-[2-(2-pyridin-2-yl-4-pyridinyl)ethenyl]benzaldehyde
CID 54562489
4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
CID 11087244
3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enoic acid;propyl prop-2-enoate
CID 157202203

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The IUPAC name of [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate (CID 59600821) is [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(C=Cc2ccc(OCc3ccnc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
The InChIKey is KYGVNWLTWIOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-2-29(32)34-20-24-10-8-22(9-11-24)6-7-23-12-14-26(15-13-23)33-21-25-16-18-31-28(19-25)27-5-3-4-17-30-27/h2-19H,1,20-21H2.
What are the key properties of [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate?
[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate has a molecular weight of 448.52 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 59600821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).