1-octadecylacridine

C31H45N — CID 87175858

IUPAC1-octadecylacridine
SMILESCCCCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12
InChIInChI=1S/C31H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23-20-25-31-29(27)26-28-22-18-19-24-30(28)32-31/h18-20,22-26H,2-17,21H2,1H3
InChIKeyXTPFBLHKYFOUIO-UHFFFAOYSA-N
MW431.71 g/mol
LogP10.19
Rot. Bonds17

About 1-octadecylacridine

1-octadecylacridine (PubChem CID 87175858) has the molecular formula C31H45N and a molecular weight of 431.71 g/mol. Its IUPAC name is 1-octadecylacridine.

Molecular Properties

Compound Name1-octadecylacridine
PubChem CID87175858
Molecular FormulaC31H45N
Molecular Weight431.71 g/mol
Exact Mass431.36
IUPAC Name1-octadecylacridine
SMILESCCCCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12
InChIInChI=1S/C31H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23-20-25-31-29(27)26-28-22-18-19-24-30(28)32-31/h18-20,22-26H,2-17,21H2,1H3
InChIKeyXTPFBLHKYFOUIO-UHFFFAOYSA-N
XLogP10.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecylacridine;hydrochloride
CID 172754650
1-tetradecylnaphthalene
CID 14402128
acridine;heptane
CID 158562494
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
2-acridin-1-yl-1-heptylacridine
CID 164897649
potassium;hydride;1-octylnaphthalene
CID 173443599
3-octylquinolin-2-amine
CID 23131231
1-decoxyacridine
CID 159660851
1-heptylphenazine;hydrochloride
CID 175352325
2-fluoro-3-pentylquinoline
CID 67913215
4-hexyl-2-methylquinoline
CID 12861362

Frequently Asked Questions

What is the IUPAC name of 1-octadecylacridine?
The IUPAC name of 1-octadecylacridine (CID 87175858) is 1-octadecylacridine.
What is the SMILES notation for 1-octadecylacridine?
The canonical SMILES for 1-octadecylacridine is CCCCCCCCCCCCCCCCCCc1cccc2nc3ccccc3cc12.
What is the InChIKey of 1-octadecylacridine?
The InChIKey is XTPFBLHKYFOUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23-20-25-31-29(27)26-28-22-18-19-24-30(28)32-31/h18-20,22-26H,2-17,21H2,1H3.
What are the key properties of 1-octadecylacridine?
1-octadecylacridine has a molecular weight of 431.71 g/mol, XLogP of 10.19, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecylacridine is sourced from PubChem (CID 87175858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).