1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium

C29H25N2O2+ — CID 102390739

IUPAC1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium
SMILESCOc1ccc(-n2c[n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H25N2O2/c1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22/h3-21H,1-2H3/q+1
InChIKeyAWZRQONHBRRHMT-UHFFFAOYSA-N
MW433.53 g/mol
LogP6.11
Rot. Bonds6

About 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium

1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium (PubChem CID 102390739) has the molecular formula C29H25N2O2+ and a molecular weight of 433.53 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium
PubChem CID102390739
Molecular FormulaC29H25N2O2+
Molecular Weight433.53 g/mol
Exact Mass433.19
IUPAC Name1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium
SMILESCOc1ccc(-n2c[n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H25N2O2/c1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22/h3-21H,1-2H3/q+1
InChIKeyAWZRQONHBRRHMT-UHFFFAOYSA-N
XLogP6.11
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-ethoxyphenyl)-4,5-diphenylimidazol-1-ium
CID 102107303
4,5-bis(4-fluorophenyl)-1,3-diphenylimidazol-1-ium
CID 25068459
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-thiol
CID 11426544
1,3-bis(5-tert-butyl-2-methylphenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-ium
CID 154707663
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
CID 12925199
4-(4-methoxyphenyl)-3-[4-[4-(4-methoxyphenyl)-5-oxido-2-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-2-phenyl-1,3-oxazol-3-ium-5-olate
CID 177472028
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-oxido-4-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-4-phenyl-1,3-oxazol-3-ium-5-olate
CID 177453116
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
7,9-diphenylacenaphthyleno[1,2-d]imidazol-9-ium chloride
CID 71817886
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium (CID 102390739) is 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium is COc1ccc(-n2c[n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium?
The InChIKey is AWZRQONHBRRHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N2O2/c1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22/h3-21H,1-2H3/q+1.
What are the key properties of 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium?
1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium has a molecular weight of 433.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)-4,5-diphenylimidazol-1-ium is sourced from PubChem (CID 102390739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).