10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride

C28H22ClN — CID 71401193

IUPAC10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride
SMILESC(=Cc1c2ccccc2[n+](Cc2ccccc2)c2ccccc12)c1ccccc1.[Cl-]
InChIInChI=1S/C28H22N.ClH/c1-3-11-22(12-4-1)19-20-24-25-15-7-9-17-27(25)29(21-23-13-5-2-6-14-23)28-18-10-8-16-26(24)28;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyRFNXTZNKIZXWDJ-UHFFFAOYSA-M
MW407.94 g/mol
LogP3.50
Rot. Bonds4

About 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride

10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride (PubChem CID 71401193) has the molecular formula C28H22ClN and a molecular weight of 407.94 g/mol. Its IUPAC name is 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride.

Molecular Properties

Compound Name10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride
PubChem CID71401193
Molecular FormulaC28H22ClN
Molecular Weight407.94 g/mol
Exact Mass407.14
IUPAC Name10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride
SMILESC(=Cc1c2ccccc2[n+](Cc2ccccc2)c2ccccc12)c1ccccc1.[Cl-]
InChIInChI=1S/C28H22N.ClH/c1-3-11-22(12-4-1)19-20-24-25-15-7-9-17-27(25)29(21-23-13-5-2-6-14-23)28-18-10-8-16-26(24)28;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyRFNXTZNKIZXWDJ-UHFFFAOYSA-M
XLogP3.50
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride 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

9-bromo-10-[(E)-2-phenylethenyl]anthracene
CID 102276385
9-[(E)-2-(4-chlorophenyl)ethenyl]-10-methylacridin-10-ium
CID 164620274
1-(1-benzylquinolin-1-ium-2-yl)-3-phenylprop-2-en-1-one
CID 139742119
9-[2-(4-isocyanophenyl)ethenyl]-10-(2-phenylethenyl)anthracene
CID 87268979
CID 70567885
CID 70567885
CID 70569152
CID 70569152
4-[2-(3-benzyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 54065591
1-ethyl-4-[2-[10-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]anthracen-9-yl]ethenyl]pyridin-1-ium
CID 171383774
CID 67900431
CID 67900431
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
CID 139257752
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride?
The IUPAC name of 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride (CID 71401193) is 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride.
What is the SMILES notation for 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride?
The canonical SMILES for 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride is C(=Cc1c2ccccc2[n+](Cc2ccccc2)c2ccccc12)c1ccccc1.[Cl-].
What is the InChIKey of 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride?
The InChIKey is RFNXTZNKIZXWDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H22N.ClH/c1-3-11-22(12-4-1)19-20-24-25-15-7-9-17-27(25)29(21-23-13-5-2-6-14-23)28-18-10-8-16-26(24)28;/h1-20H,21H2;1H/q+1;/p-1.
What are the key properties of 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride?
10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride has a molecular weight of 407.94 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-9-(2-phenylethenyl)acridin-10-ium chloride is sourced from PubChem (CID 71401193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).