1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

C24H22N2O2+2 — CID 1381384

IUPAC1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCOc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22/h3-18H,1-2H3/q+2
InChIKeyYSKLQTARMNBBHV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 1381384) has the molecular formula C24H22N2O2+2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID1381384
Molecular FormulaC24H22N2O2+2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCOc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O2/c1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22/h3-18H,1-2H3/q+2
InChIKeyYSKLQTARMNBBHV-UHFFFAOYSA-N
XLogP3.92
TPSA26.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (CID 1381384) is 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is YSKLQTARMNBBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22/h3-18H,1-2H3/q+2.
What are the key properties of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 370.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 1381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).