10-octadecyl-1H-acridine

C31H47N — CID 66736820

IUPAC10-octadecyl-1H-acridine
SMILESCCCCCCCCCCCCCCCCCCN1C2=CC=CCC2=Cc2ccccc21
InChIInChI=1S/C31H47N/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/h17-20,22,24-25,27H,2-16,21,23,26H2,1H3
InChIKeyGBZRHICAFIQHAY-UHFFFAOYSA-N
MW433.72 g/mol
LogP10.00
Rot. Bonds17

About 10-octadecyl-1H-acridine

10-octadecyl-1H-acridine (PubChem CID 66736820) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 10-octadecyl-1H-acridine.

Molecular Properties

Compound Name10-octadecyl-1H-acridine
PubChem CID66736820
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name10-octadecyl-1H-acridine
SMILESCCCCCCCCCCCCCCCCCCN1C2=CC=CCC2=Cc2ccccc21
InChIInChI=1S/C31H47N/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/h17-20,22,24-25,27H,2-16,21,23,26H2,1H3
InChIKeyGBZRHICAFIQHAY-UHFFFAOYSA-N
XLogP10.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-octadecyl-1H-acridine?
The IUPAC name of 10-octadecyl-1H-acridine (CID 66736820) is 10-octadecyl-1H-acridine.
What is the SMILES notation for 10-octadecyl-1H-acridine?
The canonical SMILES for 10-octadecyl-1H-acridine is CCCCCCCCCCCCCCCCCCN1C2=CC=CCC2=Cc2ccccc21.
What is the InChIKey of 10-octadecyl-1H-acridine?
The InChIKey is GBZRHICAFIQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/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/h17-20,22,24-25,27H,2-16,21,23,26H2,1H3.
What are the key properties of 10-octadecyl-1H-acridine?
10-octadecyl-1H-acridine has a molecular weight of 433.72 g/mol, XLogP of 10.00, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-octadecyl-1H-acridine is sourced from PubChem (CID 66736820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).