1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide

C24H18IN2+ — CID 54603122

IUPAC1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide
SMILES[I-].c1cc[n+](-c2c3ccccc3c(-[n+]3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H18N2.HI/c1-7-15-25(16-8-1)23-19-11-3-5-13-21(19)24(26-17-9-2-10-18-26)22-14-6-4-12-20(22)23;/h1-18H;1H/q+2;/p-1
InChIKeyYPAGSTZCWTZBFL-UHFFFAOYSA-M
MW461.33 g/mol
LogP1.55
Rot. Bonds2

About 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide

1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide (PubChem CID 54603122) has the molecular formula C24H18IN2+ and a molecular weight of 461.33 g/mol. Its IUPAC name is 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide.

Molecular Properties

Compound Name1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide
PubChem CID54603122
Molecular FormulaC24H18IN2+
Molecular Weight461.33 g/mol
Exact Mass461.05
IUPAC Name1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide
SMILES[I-].c1cc[n+](-c2c3ccccc3c(-[n+]3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H18N2.HI/c1-7-15-25(16-8-1)23-19-11-3-5-13-21(19)24(26-17-9-2-10-18-26)22-14-6-4-12-20(22)23;/h1-18H;1H/q+2;/p-1
InChIKeyYPAGSTZCWTZBFL-UHFFFAOYSA-M
XLogP1.55
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide?
The IUPAC name of 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide (CID 54603122) is 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide.
What is the SMILES notation for 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide?
The canonical SMILES for 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide is [I-].c1cc[n+](-c2c3ccccc3c(-[n+]3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide?
The InChIKey is YPAGSTZCWTZBFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18N2.HI/c1-7-15-25(16-8-1)23-19-11-3-5-13-21(19)24(26-17-9-2-10-18-26)22-14-6-4-12-20(22)23;/h1-18H;1H/q+2;/p-1.
What are the key properties of 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide?
1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide has a molecular weight of 461.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide is sourced from PubChem (CID 54603122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).