2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate

C28H22Cl2N4O8 — CID 56843620

IUPAC2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
SMILESC(=Cn1c(-c2ccccc2)c[n+]2ccccc12)n1c(-c2ccccc2)c[n+]2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C28H22N4.2ClHO4/c1-3-11-23(12-4-1)25-21-29-17-9-7-15-27(29)31(25)19-20-32-26(24-13-5-2-6-14-24)22-30-18-10-8-16-28(30)32;2*2-1(3,4)5/h1-22H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyXJASUIXKCNTYNA-UHFFFAOYSA-L
MW613.41 g/mol
LogP-4.33
Rot. Bonds4

About 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate

2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate (PubChem CID 56843620) has the molecular formula C28H22Cl2N4O8 and a molecular weight of 613.41 g/mol. Its IUPAC name is 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate.

Molecular Properties

Compound Name2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
PubChem CID56843620
Molecular FormulaC28H22Cl2N4O8
Molecular Weight613.41 g/mol
Exact Mass612.08
IUPAC Name2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
SMILESC(=Cn1c(-c2ccccc2)c[n+]2ccccc12)n1c(-c2ccccc2)c[n+]2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C28H22N4.2ClHO4/c1-3-11-23(12-4-1)25-21-29-17-9-7-15-27(29)31(25)19-20-32-26(24-13-5-2-6-14-24)22-30-18-10-8-16-28(30)32;2*2-1(3,4)5/h1-22H;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyXJASUIXKCNTYNA-UHFFFAOYSA-L
XLogP-4.33
TPSA202.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.41
LogP ≤ 5-4.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?
The IUPAC name of 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate (CID 56843620) is 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate.
What is the SMILES notation for 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?
The canonical SMILES for 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate is C(=Cn1c(-c2ccccc2)c[n+]2ccccc12)n1c(-c2ccccc2)c[n+]2ccccc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?
The InChIKey is XJASUIXKCNTYNA-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H22N4.2ClHO4/c1-3-11-23(12-4-1)25-21-29-17-9-7-15-27(29)31(25)19-20-32-26(24-13-5-2-6-14-24)22-30-18-10-8-16-28(30)32;2*2-1(3,4)5/h1-22H;2*(H,2,3,4,5)/q+2;;/p-2.
What are the key properties of 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate?
2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate has a molecular weight of 613.41 g/mol, XLogP of -4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethenyl]imidazo[1,2-a]pyridin-4-ium diperchlorate is sourced from PubChem (CID 56843620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).