9-acridin-10-ium-9-yl-10-methylacridin-10-ium

C27H20N2+2 — CID 143723740

IUPAC9-acridin-10-ium-9-yl-10-methylacridin-10-ium
SMILESC[n+]1c2ccccc2c(-c2c3ccccc3[nH+]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H19N2/c1-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28-23-15-7-3-11-19(23)26/h2-17H,1H3/q+1/p+1
InChIKeyBQLZPQJISDLJSO-UHFFFAOYSA-O
MW372.47 g/mol
LogP5.61
Rot. Bonds1

About 9-acridin-10-ium-9-yl-10-methylacridin-10-ium

9-acridin-10-ium-9-yl-10-methylacridin-10-ium (PubChem CID 143723740) has the molecular formula C27H20N2+2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 9-acridin-10-ium-9-yl-10-methylacridin-10-ium.

Molecular Properties

Compound Name9-acridin-10-ium-9-yl-10-methylacridin-10-ium
PubChem CID143723740
Molecular FormulaC27H20N2+2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name9-acridin-10-ium-9-yl-10-methylacridin-10-ium
SMILESC[n+]1c2ccccc2c(-c2c3ccccc3[nH+]c3ccccc23)c2ccccc21
InChIInChI=1S/C27H19N2/c1-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28-23-15-7-3-11-19(23)26/h2-17H,1H3/q+1/p+1
InChIKeyBQLZPQJISDLJSO-UHFFFAOYSA-O
XLogP5.61
TPSA18.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

9-(2-iodophenyl)-10-methylacridin-10-ium tetrafluoroborate
CID 170533259
3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
CID 154709083
10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
CID 101465009
10-methyl-9-[2-(10-methylacridin-10-ium-9-yl)acenaphthylen-1-yl]acridin-10-ium
CID 102582812
10-methyl-9-thianthren-2-ylacridin-10-ium
CID 100998673
10-methyl-9-[6-(10-methylacridin-10-ium-9-yl)-1,2-dihydroacenaphthylen-5-yl]acridin-10-ium
CID 101375016
10-methylacridin-10-ium-9-carboxylic acid;yttrium
CID 167515495
1-[4-(10-methylacridin-10-ium-9-yl)phenyl]ethanone tetrafluoroborate
CID 163206272
9-(8-acridin-9-ylnaphthalen-1-yl)-10-methylacridin-10-ium
CID 101357954
10-methylacridin-10-ium-9-carbonitrile;molecular bromine;bromide
CID 23726955
10-methyl-9-(4-nitrophenyl)acridin-10-ium tetrafluoroborate
CID 164677656
10-methyl-9-(3-nitrophenyl)acridin-10-ium iodide
CID 164611367

Frequently Asked Questions

What is the IUPAC name of 9-acridin-10-ium-9-yl-10-methylacridin-10-ium?
The IUPAC name of 9-acridin-10-ium-9-yl-10-methylacridin-10-ium (CID 143723740) is 9-acridin-10-ium-9-yl-10-methylacridin-10-ium.
What is the SMILES notation for 9-acridin-10-ium-9-yl-10-methylacridin-10-ium?
The canonical SMILES for 9-acridin-10-ium-9-yl-10-methylacridin-10-ium is C[n+]1c2ccccc2c(-c2c3ccccc3[nH+]c3ccccc23)c2ccccc21.
What is the InChIKey of 9-acridin-10-ium-9-yl-10-methylacridin-10-ium?
The InChIKey is BQLZPQJISDLJSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H19N2/c1-29-24-16-8-4-12-20(24)27(21-13-5-9-17-25(21)29)26-18-10-2-6-14-22(18)28-23-15-7-3-11-19(23)26/h2-17H,1H3/q+1/p+1.
What are the key properties of 9-acridin-10-ium-9-yl-10-methylacridin-10-ium?
9-acridin-10-ium-9-yl-10-methylacridin-10-ium has a molecular weight of 372.47 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acridin-10-ium-9-yl-10-methylacridin-10-ium is sourced from PubChem (CID 143723740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).