10-octadecylacridin-10-ium

C31H46N+ — CID 19067410

IUPAC10-octadecylacridin-10-ium
SMILESCCCCCCCCCCCCCCCCCC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C31H46N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-32-30-24-19-17-22-28(30)27-29-23-18-20-25-31(29)32/h17-20,22-25,27H,2-16,21,26H2,1H3/q+1
InChIKeyJNNKDJJLSXYSLX-UHFFFAOYSA-N
MW432.72 g/mol
LogP9.54
Rot. Bonds17

About 10-octadecylacridin-10-ium

10-octadecylacridin-10-ium (PubChem CID 19067410) has the molecular formula C31H46N+ and a molecular weight of 432.72 g/mol. Its IUPAC name is 10-octadecylacridin-10-ium.

Molecular Properties

Compound Name10-octadecylacridin-10-ium
PubChem CID19067410
Molecular FormulaC31H46N+
Molecular Weight432.72 g/mol
Exact Mass432.36
IUPAC Name10-octadecylacridin-10-ium
SMILESCCCCCCCCCCCCCCCCCC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C31H46N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-32-30-24-19-17-22-28(30)27-29-23-18-20-25-31(29)32/h17-20,22-25,27H,2-16,21,26H2,1H3/q+1
InChIKeyJNNKDJJLSXYSLX-UHFFFAOYSA-N
XLogP9.54
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
CID 71371813
1-(azetidin-1-yl)-10-nonylacridin-10-ium
CID 175291600
10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
CID 67699359
13-hexyl-2-phenyl-13-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102026637
2-[(E)-2-(1-decylquinolin-1-ium-2-yl)ethenyl]phenol
CID 87743068
12-hexyl-12-azoniaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-1(27),2(11),3(8),4,6,9,12,14,16(28),17,19,21,23,25-tetradecaene
CID 102026640
5-hexylphenanthridin-5-ium
CID 10015686
anthracene;hexan-1-ol
CID 174457209
acridine;heptane
CID 158562494
3-heptadecyl-2-octadecyl-1H-benzimidazol-3-ium
CID 156853108
1-heptyl-2,3,5,6-tetraphenylpyridin-1-ium
CID 3734324
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of 10-octadecylacridin-10-ium?
The IUPAC name of 10-octadecylacridin-10-ium (CID 19067410) is 10-octadecylacridin-10-ium.
What is the SMILES notation for 10-octadecylacridin-10-ium?
The canonical SMILES for 10-octadecylacridin-10-ium is CCCCCCCCCCCCCCCCCC[n+]1c2ccccc2cc2ccccc21.
What is the InChIKey of 10-octadecylacridin-10-ium?
The InChIKey is JNNKDJJLSXYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-32-30-24-19-17-22-28(30)27-29-23-18-20-25-31(29)32/h17-20,22-25,27H,2-16,21,26H2,1H3/q+1.
What are the key properties of 10-octadecylacridin-10-ium?
10-octadecylacridin-10-ium has a molecular weight of 432.72 g/mol, XLogP of 9.54, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-octadecylacridin-10-ium is sourced from PubChem (CID 19067410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).