1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium

C42H32NO+ — CID 102227143

IUPAC1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
SMILESCOc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C42H32NO/c1-44-42-38(32-19-9-3-10-20-32)29-37(30-39(42)33-21-11-4-12-22-33)43-40(34-23-13-5-14-24-34)27-36(31-17-7-2-8-18-31)28-41(43)35-25-15-6-16-26-35/h2-30H,1H3/q+1
InChIKeyPZWGFAPMPMPIRD-UHFFFAOYSA-N
MW566.72 g/mol
LogP10.31
Rot. Bonds7

About 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium

1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium (PubChem CID 102227143) has the molecular formula C42H32NO+ and a molecular weight of 566.72 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
PubChem CID102227143
Molecular FormulaC42H32NO+
Molecular Weight566.72 g/mol
Exact Mass566.25
IUPAC Name1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
SMILESCOc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C42H32NO/c1-44-42-38(32-19-9-3-10-20-32)29-37(30-39(42)33-21-11-4-12-22-33)43-40(34-23-13-5-14-24-34)27-36(31-17-7-2-8-18-31)28-41(43)35-25-15-6-16-26-35/h2-30H,1H3/q+1
InChIKeyPZWGFAPMPMPIRD-UHFFFAOYSA-N
XLogP10.31
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.72
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenyl-2,6-dipyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-4-ylphenol
CID 135404283
ethane;1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methoxy-5-phenylphenyl]-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-diphenylpyridin-1-ium
CID 143817144
2-methoxy-1,3-diphenylbenzene
CID 23524590
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
ethane;1-[4-methoxy-3-[(2E,4Z)-7-methylocta-2,4,6-trien-3-yl]-5-phenylphenyl]-2-[(2E,4Z)-7-methylocta-2,4-dien-3-yl]-4,6-diphenylpyridin-1-ium
CID 143769684
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133
1,3-dimethoxy-5-phenylbenzene
CID 11469945
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
3-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol perchlorate
CID 12647559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium (CID 102227143) is 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium is COc1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium?
The InChIKey is PZWGFAPMPMPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32NO/c1-44-42-38(32-19-9-3-10-20-32)29-37(30-39(42)33-21-11-4-12-22-33)43-40(34-23-13-5-14-24-34)27-36(31-17-7-2-8-18-31)28-41(43)35-25-15-6-16-26-35/h2-30H,1H3/q+1.
What are the key properties of 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium?
1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium has a molecular weight of 566.72 g/mol, XLogP of 10.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 102227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).