bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene

C40H34N4+2 — CID 101492136

IUPACbis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene
SMILESC(=C/c1cc[n+](Cc2ccc(/N=N/c3ccc(C[n+]4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C40H34N4/c1-3-7-33(8-4-1)11-13-35-23-27-43(28-24-35)31-37-15-19-39(20-16-37)41-42-40-21-17-38(18-22-40)32-44-29-25-36(26-30-44)14-12-34-9-5-2-6-10-34/h1-30H,31-32H2/q+2/b13-11+,14-12+,42-41+
InChIKeyNAMNROXQNCWGOG-FGMVTGBWSA-N
MW570.74 g/mol
LogP9.11
Rot. Bonds10

About bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene

bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene (PubChem CID 101492136) has the molecular formula C40H34N4+2 and a molecular weight of 570.74 g/mol. Its IUPAC name is bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene.

Molecular Properties

Compound Namebis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene
PubChem CID101492136
Molecular FormulaC40H34N4+2
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Namebis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene
SMILESC(=C/c1cc[n+](Cc2ccc(/N=N/c3ccc(C[n+]4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C40H34N4/c1-3-7-33(8-4-1)11-13-35-23-27-43(28-24-35)31-37-15-19-39(20-16-37)41-42-40-21-17-38(18-22-40)32-44-29-25-36(26-30-44)14-12-34-9-5-2-6-10-34/h1-30H,31-32H2/q+2/b13-11+,14-12+,42-41+
InChIKeyNAMNROXQNCWGOG-FGMVTGBWSA-N
XLogP9.11
TPSA32.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(1-benzylpyridin-1-ium-4-yl)diazene dibromide
CID 10768439
4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
CID 100917336
4-[2-(1-benzylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline chloride
CID 142710987
(E)-2-(1-benzylpyridin-1-ium-4-yl)-N,N-dimethylethenamine chloride
CID 10754838
[4-(pyridin-1-ium-1-ylmethyl)phenyl]-[4-[2-[2-[2-[2-[4-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]diazenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]diazene
CID 158246996
azulen-1-yl-(1-benzylpyridin-1-ium-4-yl)diazene bromide
CID 10905540
1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide
CID 3036637
1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4-[1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 89253840
1-benzylpyridin-1-ium;copper
CID 175162288
phenyl-[1-[3-(4-phenyldiazenylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]diazene
CID 58982593
1-benzylpyridin-1-ium-4-amine bromide
CID 17255915
1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957

Frequently Asked Questions

What is the IUPAC name of bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene?
The IUPAC name of bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene (CID 101492136) is bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene.
What is the SMILES notation for bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene?
The canonical SMILES for bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene is C(=C/c1cc[n+](Cc2ccc(/N=N/c3ccc(C[n+]4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene?
The InChIKey is NAMNROXQNCWGOG-FGMVTGBWSA-N. The full InChI is InChI=1S/C40H34N4/c1-3-7-33(8-4-1)11-13-35-23-27-43(28-24-35)31-37-15-19-39(20-16-37)41-42-40-21-17-38(18-22-40)32-44-29-25-36(26-30-44)14-12-34-9-5-2-6-10-34/h1-30H,31-32H2/q+2/b13-11+,14-12+,42-41+.
What are the key properties of bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene?
bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene has a molecular weight of 570.74 g/mol, XLogP of 9.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]methyl]phenyl]diazene is sourced from PubChem (CID 101492136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).