2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate

C27H24ClNO5 — CID 2855578

IUPAC2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate
SMILESCOc1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C27H24NO.ClHO4/c1-28-25(16-13-21-14-17-26(29-2)18-15-21)19-24(22-9-5-3-6-10-22)20-27(28)23-11-7-4-8-12-23;2-1(3,4)5/h3-20H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMYDSQCKFHCMQKF-UHFFFAOYSA-M
MW477.94 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate

2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate (PubChem CID 2855578) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate
PubChem CID2855578
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate
SMILESCOc1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C27H24NO.ClHO4/c1-28-25(16-13-21-14-17-26(29-2)18-15-21)19-24(22-9-5-3-6-10-22)20-27(28)23-11-7-4-8-12-23;2-1(3,4)5/h3-20H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyMYDSQCKFHCMQKF-UHFFFAOYSA-M
XLogP1.27
TPSA105.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium
CID 2855579
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
4-(4-methoxyphenyl)-1-[6-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]hexyl]-2,6-diphenylpyridin-1-ium diperchlorate
CID 13185032
4-[4-[(E)-2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methylpyridin-1-ium-2-yl]ethenyl]-N-methylanilino]butanenitrile iodide
CID 154594311
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-diphenylthiopyrylium
CID 136884128
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium
CID 18527793
2-methoxy-6-phenylnaphthalene
CID 11253308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate (CID 2855578) is 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate is COc1ccc(C=Cc2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate?
The InChIKey is MYDSQCKFHCMQKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H24NO.ClHO4/c1-28-25(16-13-21-14-17-26(29-2)18-15-21)19-24(22-9-5-3-6-10-22)20-27(28)23-11-7-4-8-12-23;2-1(3,4)5/h3-20H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate?
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate has a molecular weight of 477.94 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 2855578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).