acridine;2,2-diphenylacetic acid

C27H21NO2 — CID 139120811

IUPACacridine;2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C14H12O2.C13H9N/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10,13H,(H,15,16);1-9H
InChIKeyWDJJZVPRMACYCP-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.29
Rot. Bonds3

About acridine;2,2-diphenylacetic acid

acridine;2,2-diphenylacetic acid (PubChem CID 139120811) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is acridine;2,2-diphenylacetic acid.

Molecular Properties

Compound Nameacridine;2,2-diphenylacetic acid
PubChem CID139120811
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Nameacridine;2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C14H12O2.C13H9N/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10,13H,(H,15,16);1-9H
InChIKeyWDJJZVPRMACYCP-UHFFFAOYSA-N
XLogP6.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Tetrophan
CID 120171
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
Brequinar Analog
CID 1543
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299
2-(Naphthalen-2-yl)quinoline-4-carboxylic acid
CID 680333
2-Methylquinoline-4-carboxylic acid
CID 604442

Frequently Asked Questions

What is the IUPAC name of acridine;2,2-diphenylacetic acid?
The IUPAC name of acridine;2,2-diphenylacetic acid (CID 139120811) is acridine;2,2-diphenylacetic acid.
What is the SMILES notation for acridine;2,2-diphenylacetic acid?
The canonical SMILES for acridine;2,2-diphenylacetic acid is O=C(O)C(c1ccccc1)c1ccccc1.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;2,2-diphenylacetic acid?
The InChIKey is WDJJZVPRMACYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C13H9N/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10,13H,(H,15,16);1-9H.
What are the key properties of acridine;2,2-diphenylacetic acid?
acridine;2,2-diphenylacetic acid has a molecular weight of 391.47 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;2,2-diphenylacetic acid is sourced from PubChem (CID 139120811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).