4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium

C29H28N2+2 — CID 100917336

IUPAC4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
SMILESC(=C/c1cc[n+](CCC[n+]2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C29H28N2/c1-3-8-26(9-4-1)12-14-28-16-22-30(23-17-28)20-7-21-31-24-18-29(19-25-31)15-13-27-10-5-2-6-11-27/h1-6,8-19,22-25H,7,20-21H2/q+2/b14-12+,15-13+
InChIKeyMFONBLUOXWTEGJ-QUMQEAAQSA-N
MW404.56 g/mol
LogP5.69
Rot. Bonds8

About 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium

4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium (PubChem CID 100917336) has the molecular formula C29H28N2+2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
PubChem CID100917336
Molecular FormulaC29H28N2+2
Molecular Weight404.56 g/mol
Exact Mass404.22
IUPAC Name4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
SMILESC(=C/c1cc[n+](CCC[n+]2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C29H28N2/c1-3-8-26(9-4-1)12-14-28-16-22-30(23-17-28)20-7-21-31-24-18-29(19-25-31)15-13-27-10-5-2-6-11-27/h1-6,8-19,22-25H,7,20-21H2/q+2/b14-12+,15-13+
InChIKeyMFONBLUOXWTEGJ-QUMQEAAQSA-N
XLogP5.69
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium with MolForge

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Related Compounds

1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 44630420
trimethyl-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
CID 6538046
1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
CID 85447470
2-[4-[(E)-2-(4-phenylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 11645116
4-ethenyl-1-[3-(4-ethenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium
CID 3991760
CID 70569152
CID 70569152
CID 70567885
CID 70567885
bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene
CID 101492136
ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 142017607
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
4-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]benzaldehyde
CID 19765978
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium?
The IUPAC name of 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium (CID 100917336) is 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium is C(=C/c1cc[n+](CCC[n+]2ccc(/C=C/c3ccccc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium?
The InChIKey is MFONBLUOXWTEGJ-QUMQEAAQSA-N. The full InChI is InChI=1S/C29H28N2/c1-3-8-26(9-4-1)12-14-28-16-22-30(23-17-28)20-7-21-31-24-18-29(19-25-31)15-13-27-10-5-2-6-11-27/h1-6,8-19,22-25H,7,20-21H2/q+2/b14-12+,15-13+.
What are the key properties of 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium?
4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium has a molecular weight of 404.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium is sourced from PubChem (CID 100917336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).