11-acridin-9-ylundecanoic acid

C24H29NO2 — CID 10737446

IUPAC11-acridin-9-ylundecanoic acid
SMILESO=C(O)CCCCCCCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C24H29NO2/c26-24(27)18-8-6-4-2-1-3-5-7-13-19-20-14-9-11-16-22(20)25-23-17-12-10-15-21(19)23/h9-12,14-17H,1-8,13,18H2,(H,26,27)
InChIKeyXKDITFAOKVRMFH-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.53
Rot. Bonds11

About 11-acridin-9-ylundecanoic acid

11-acridin-9-ylundecanoic acid (PubChem CID 10737446) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 11-acridin-9-ylundecanoic acid.

Molecular Properties

Compound Name11-acridin-9-ylundecanoic acid
PubChem CID10737446
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name11-acridin-9-ylundecanoic acid
SMILESO=C(O)CCCCCCCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C24H29NO2/c26-24(27)18-8-6-4-2-1-3-5-7-13-19-20-14-9-11-16-22(20)25-23-17-12-10-15-21(19)23/h9-12,14-17H,1-8,13,18H2,(H,26,27)
InChIKeyXKDITFAOKVRMFH-UHFFFAOYSA-N
XLogP6.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

9-(8-acridin-9-yloctyl)acridine
CID 10504492
7-(4-phenylquinolin-2-yl)heptanoic acid
CID 10065423
2-acridin-9-ylacetic acid
CID 15525099
(2-sulfanylidene-1-pyridinyl) 5-acridin-9-ylpentanoate
CID 10045812
15-phenylpentadecanoic acid
CID 2737151
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
9-(4-methoxybutyl)acridine
CID 54573696
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
7-[4-(quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171
9-[11-[4-[1-(11-acridin-9-ylundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl]acridine dibromide
CID 11343641
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139

Frequently Asked Questions

What is the IUPAC name of 11-acridin-9-ylundecanoic acid?
The IUPAC name of 11-acridin-9-ylundecanoic acid (CID 10737446) is 11-acridin-9-ylundecanoic acid.
What is the SMILES notation for 11-acridin-9-ylundecanoic acid?
The canonical SMILES for 11-acridin-9-ylundecanoic acid is O=C(O)CCCCCCCCCCc1c2ccccc2nc2ccccc12.
What is the InChIKey of 11-acridin-9-ylundecanoic acid?
The InChIKey is XKDITFAOKVRMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(27)18-8-6-4-2-1-3-5-7-13-19-20-14-9-11-16-22(20)25-23-17-12-10-15-21(19)23/h9-12,14-17H,1-8,13,18H2,(H,26,27).
What are the key properties of 11-acridin-9-ylundecanoic acid?
11-acridin-9-ylundecanoic acid has a molecular weight of 363.50 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acridin-9-ylundecanoic acid is sourced from PubChem (CID 10737446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).