1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

C24H22N2+2 — CID 71078836

IUPAC1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1
InChIInChI=1S/C24H22N2/c1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2/h3-18H,1-2H3/q+2
InChIKeyUNCPRHQUTZAOLV-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.52
Rot. Bonds3

About 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 71078836) has the molecular formula C24H22N2+2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID71078836
Molecular FormulaC24H22N2+2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESCc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1
InChIInChI=1S/C24H22N2/c1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2/h3-18H,1-2H3/q+2
InChIKeyUNCPRHQUTZAOLV-UHFFFAOYSA-N
XLogP4.52
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (CID 71078836) is 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is Cc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is UNCPRHQUTZAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2/h3-18H,1-2H3/q+2.
What are the key properties of 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 338.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 71078836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).