1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium

C32H26N2+2 — CID 102154920

IUPAC1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium
SMILESC(=C/c1cc[n+](-c2ccccc2)cc1)\c1ccc(/C=C/c2cc[n+](-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N2/c1-3-7-31(8-4-1)33-23-19-29(20-24-33)17-15-27-11-13-28(14-12-27)16-18-30-21-25-34(26-22-30)32-9-5-2-6-10-32/h1-26H/q+2/b17-15+,18-16+
InChIKeyCXGGYFFDJJPBQJ-YTEMWHBBSA-N
MW438.57 g/mol
LogP6.58
Rot. Bonds6

About 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium

1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium (PubChem CID 102154920) has the molecular formula C32H26N2+2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium
PubChem CID102154920
Molecular FormulaC32H26N2+2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium
SMILESC(=C/c1cc[n+](-c2ccccc2)cc1)\c1ccc(/C=C/c2cc[n+](-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N2/c1-3-7-31(8-4-1)33-23-19-29(20-24-33)17-15-27-11-13-28(14-12-27)16-18-30-21-25-34(26-22-30)32-9-5-2-6-10-32/h1-26H/q+2/b17-15+,18-16+
InChIKeyCXGGYFFDJJPBQJ-YTEMWHBBSA-N
XLogP6.58
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70567885
CID 70567885
4-chloro-1-phenylpyridin-1-ium chloride
CID 67835768
ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 142017607
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
CID 70569152
CID 70569152
4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
CID 100917336
1-phenylpyridin-1-ium perchlorate
CID 44786302
25,26,27,28-tetrahydroxy-11-methyl-17-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-5-carbaldehyde
CID 162178426
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843
bis(4-methylbenzenesulfonate);1-[4-[(E)-2-[4-[(E)-2-(4-pyridin-1-ium-1-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]pyridin-1-ium
CID 6505042
2-[4-[(E)-2-(4-phenylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 11645116

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium?
The IUPAC name of 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium (CID 102154920) is 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium.
What is the SMILES notation for 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium?
The canonical SMILES for 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium is C(=C/c1cc[n+](-c2ccccc2)cc1)\c1ccc(/C=C/c2cc[n+](-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium?
The InChIKey is CXGGYFFDJJPBQJ-YTEMWHBBSA-N. The full InChI is InChI=1S/C32H26N2/c1-3-7-31(8-4-1)33-23-19-29(20-24-33)17-15-27-11-13-28(14-12-27)16-18-30-21-25-34(26-22-30)32-9-5-2-6-10-32/h1-26H/q+2/b17-15+,18-16+.
What are the key properties of 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium?
1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium has a molecular weight of 438.57 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-2-[4-[(E)-2-(1-phenylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]pyridin-1-ium is sourced from PubChem (CID 102154920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).