2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate

C32H40Cl2N4O8 — CID 13318868

IUPAC2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c[n+]3c(n2CCCCCCn2c(-c4ccccc4)c[n+]4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C32H40N4.2ClHO4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36;2*2-1(3,4)5/h3-8,15-18,25-26H,1-2,9-14,19-24H2;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyQHRRMLAMUQNVFH-UHFFFAOYSA-L
MW679.60 g/mol
LogP-3.38
Rot. Bonds9

About 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate

2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate (PubChem CID 13318868) has the molecular formula C32H40Cl2N4O8 and a molecular weight of 679.60 g/mol. Its IUPAC name is 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate.

Molecular Properties

Compound Name2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate
PubChem CID13318868
Molecular FormulaC32H40Cl2N4O8
Molecular Weight679.60 g/mol
Exact Mass678.22
IUPAC Name2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c[n+]3c(n2CCCCCCn2c(-c4ccccc4)c[n+]4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C32H40N4.2ClHO4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36;2*2-1(3,4)5/h3-8,15-18,25-26H,1-2,9-14,19-24H2;2*(H,2,3,4,5)/q+2;;/p-2
InChIKeyQHRRMLAMUQNVFH-UHFFFAOYSA-L
XLogP-3.38
TPSA202.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.60
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate?
The IUPAC name of 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate (CID 13318868) is 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate.
What is the SMILES notation for 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate?
The canonical SMILES for 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c[n+]3c(n2CCCCCCn2c(-c4ccccc4)c[n+]4c2CCCC4)CCCC3)cc1.
What is the InChIKey of 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate?
The InChIKey is QHRRMLAMUQNVFH-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H40N4.2ClHO4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36;2*2-1(3,4)5/h3-8,15-18,25-26H,1-2,9-14,19-24H2;2*(H,2,3,4,5)/q+2;;/p-2.
What are the key properties of 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate?
2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate has a molecular weight of 679.60 g/mol, XLogP of -3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium diperchlorate is sourced from PubChem (CID 13318868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).