4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine

C32H25N6+ — CID 135579652

IUPAC4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccc(-n4ccnc4)cc3)cc[nH+]2)c1)\c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C32H24N6/c1(25-5-9-29(10-6-25)37-19-17-33-23-37)3-27-13-15-35-31(21-27)32-22-28(14-16-36-32)4-2-26-7-11-30(12-8-26)38-20-18-34-24-38/h1-24H/p+1/b3-1+,4-2+
InChIKeyLVDOBVDMGMJKBM-ZPUQHVIOSA-O
MW493.59 g/mol
LogP6.27
Rot. Bonds7

About 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine

4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine (PubChem CID 135579652) has the molecular formula C32H25N6+ and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine
PubChem CID135579652
Molecular FormulaC32H25N6+
Molecular Weight493.59 g/mol
Exact Mass493.21
IUPAC Name4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine
SMILESC(=C/c1ccnc(-c2cc(/C=C/c3ccc(-n4ccnc4)cc3)cc[nH+]2)c1)\c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C32H24N6/c1(25-5-9-29(10-6-25)37-19-17-33-23-37)3-27-13-15-35-31(21-27)32-22-28(14-16-36-32)4-2-26-7-11-30(12-8-26)38-20-18-34-24-38/h1-24H/p+1/b3-1+,4-2+
InChIKeyLVDOBVDMGMJKBM-ZPUQHVIOSA-O
XLogP6.27
TPSA62.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine?
The IUPAC name of 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine (CID 135579652) is 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine.
What is the SMILES notation for 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine?
The canonical SMILES for 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine is C(=C/c1ccnc(-c2cc(/C=C/c3ccc(-n4ccnc4)cc3)cc[nH+]2)c1)\c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine?
The InChIKey is LVDOBVDMGMJKBM-ZPUQHVIOSA-O. The full InChI is InChI=1S/C32H24N6/c1(25-5-9-29(10-6-25)37-19-17-33-23-37)3-27-13-15-35-31(21-27)32-22-28(14-16-36-32)4-2-26-7-11-30(12-8-26)38-20-18-34-24-38/h1-24H/p+1/b3-1+,4-2+.
What are the key properties of 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine?
4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine has a molecular weight of 493.59 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine is sourced from PubChem (CID 135579652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).