4-acridin-10-ium-10-ylphenol

C19H14NO+ — CID 177494094

IUPAC4-acridin-10-ium-10-ylphenol
SMILESOc1ccc(-[n+]2c3ccccc3cc3ccccc32)cc1
InChIInChI=1S/C19H13NO/c21-17-11-9-16(10-12-17)20-18-7-3-1-5-14(18)13-15-6-2-4-8-19(15)20/h1-13H/p+1
InChIKeyWRBMSLYGEDGRRM-UHFFFAOYSA-O
MW272.33 g/mol
LogP3.98
Rot. Bonds1

About 4-acridin-10-ium-10-ylphenol

4-acridin-10-ium-10-ylphenol (PubChem CID 177494094) has the molecular formula C19H14NO+ and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-acridin-10-ium-10-ylphenol.

Molecular Properties

Compound Name4-acridin-10-ium-10-ylphenol
PubChem CID177494094
Molecular FormulaC19H14NO+
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC Name4-acridin-10-ium-10-ylphenol
SMILESOc1ccc(-[n+]2c3ccccc3cc3ccccc32)cc1
InChIInChI=1S/C19H13NO/c21-17-11-9-16(10-12-17)20-18-7-3-1-5-14(18)13-15-6-2-4-8-19(15)20/h1-13H/p+1
InChIKeyWRBMSLYGEDGRRM-UHFFFAOYSA-O
XLogP3.98
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-phenylbenzo[a]acridin-7-ium
CID 27162029
anthracene;benzene;naphthalene;phenol
CID 174822165
5,10-diphenylphenazine-5,10-diium
CID 72766780
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
naphthalen-2-ol
CID 71750931
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942
10-propan-2-ylacridin-10-ium
CID 101440636
tetrakis(benzene-1,4-diol);quinoline
CID 174523855
CID 69280188
CID 69280188
cinnoline;phenol
CID 174264955

Frequently Asked Questions

What is the IUPAC name of 4-acridin-10-ium-10-ylphenol?
The IUPAC name of 4-acridin-10-ium-10-ylphenol (CID 177494094) is 4-acridin-10-ium-10-ylphenol.
What is the SMILES notation for 4-acridin-10-ium-10-ylphenol?
The canonical SMILES for 4-acridin-10-ium-10-ylphenol is Oc1ccc(-[n+]2c3ccccc3cc3ccccc32)cc1.
What is the InChIKey of 4-acridin-10-ium-10-ylphenol?
The InChIKey is WRBMSLYGEDGRRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H13NO/c21-17-11-9-16(10-12-17)20-18-7-3-1-5-14(18)13-15-6-2-4-8-19(15)20/h1-13H/p+1.
What are the key properties of 4-acridin-10-ium-10-ylphenol?
4-acridin-10-ium-10-ylphenol has a molecular weight of 272.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acridin-10-ium-10-ylphenol is sourced from PubChem (CID 177494094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).