4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine

C28H25NO3 — CID 121329846

IUPAC4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccncc2)cc1
InChIInChI=1S/C28H25NO3/c1-30-24-10-4-20(5-11-24)27(21-6-12-25(31-2)13-7-21)28(23-16-18-29-19-17-23)22-8-14-26(32-3)15-9-22/h4-19H,1-3H3
InChIKeyGUYBZCYHNBHVQN-UHFFFAOYSA-N
MW423.51 g/mol
LogP6.11
Rot. Bonds7

About 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine

4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine (PubChem CID 121329846) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
PubChem CID121329846
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Name4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccncc2)cc1
InChIInChI=1S/C28H25NO3/c1-30-24-10-4-20(5-11-24)27(21-6-12-25(31-2)13-7-21)28(23-16-18-29-19-17-23)22-8-14-26(32-3)15-9-22/h4-19H,1-3H3
InChIKeyGUYBZCYHNBHVQN-UHFFFAOYSA-N
XLogP6.11
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
CID 159103902
CID 159103902
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
4-methoxybenzoic acid;pyridine
CID 174860408
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
CID 136883665
CID 136883665
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
CID 18510988
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865

Frequently Asked Questions

What is the IUPAC name of 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine?
The IUPAC name of 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine (CID 121329846) is 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine is COc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccncc2)cc1.
What is the InChIKey of 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine?
The InChIKey is GUYBZCYHNBHVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3/c1-30-24-10-4-20(5-11-24)27(21-6-12-25(31-2)13-7-21)28(23-16-18-29-19-17-23)22-8-14-26(32-3)15-9-22/h4-19H,1-3H3.
What are the key properties of 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine?
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine has a molecular weight of 423.51 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 121329846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).