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

C23H22ClNO4 — CID 15953479

IUPAC10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate
SMILESCc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H22N.ClHO4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)23;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyLFMBERYWDLWXNO-UHFFFAOYSA-M
MW411.89 g/mol
LogP0.65
Rot. Bonds1

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

10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate (PubChem CID 15953479) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate.

Molecular Properties

Compound Name10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate
PubChem CID15953479
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate
SMILESCc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H22N.ClHO4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)23;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyLFMBERYWDLWXNO-UHFFFAOYSA-M
XLogP0.65
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Quinaldine Red
CID 5702759
Ethidium
CID 3624
Benz(a)acridine
CID 9180
Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
CID 68207
9-Methylacridine
CID 11913
7-Methylbenz(c)acridine
CID 76861
Pinacyanol chloride
CID 6364575

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate?
The IUPAC name of 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate (CID 15953479) is 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate.
What is the SMILES notation for 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate?
The canonical SMILES for 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate is Cc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate?
The InChIKey is LFMBERYWDLWXNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22N.ClHO4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)23;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate?
10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate has a molecular weight of 411.89 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium perchlorate is sourced from PubChem (CID 15953479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).