10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium

C28H24N+ — CID 74766004

IUPAC10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
SMILESCc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C28H24N/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28/h4-18H,1-3H3/q+1
InChIKeyLPRVPPCEQXHJNY-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.86
Rot. Bonds2

About 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium

10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium (PubChem CID 74766004) has the molecular formula C28H24N+ and a molecular weight of 374.51 g/mol. Its IUPAC name is 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium.

Molecular Properties

Compound Name10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
PubChem CID74766004
Molecular FormulaC28H24N+
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
SMILESCc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C28H24N/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28/h4-18H,1-3H3/q+1
InChIKeyLPRVPPCEQXHJNY-UHFFFAOYSA-N
XLogP6.86
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.86
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-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-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

Acridine
CID 9215
Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Bathocuproine
CID 65149
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
2,4-Dimethylquinoline
CID 14536
1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Quinaldine Red
CID 5702759
Benz(a)acridine
CID 9180

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium?
The IUPAC name of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium (CID 74766004) is 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium.
What is the SMILES notation for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium?
The canonical SMILES for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium is Cc1cc(C)c(-c2c3ccccc3[n+](-c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium?
The InChIKey is LPRVPPCEQXHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28/h4-18H,1-3H3/q+1.
What are the key properties of 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium?
10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium has a molecular weight of 374.51 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium is sourced from PubChem (CID 74766004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).