2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid

C20H13NO3 — CID 22287027

IUPAC2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
SMILESO=C(O)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H13NO3/c22-19(20(23)24)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18)14-6-2-1-3-7-14/h1-12H,(H,23,24)
InChIKeyARILDIOLTRWTFA-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.05
Rot. Bonds3

About 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid

2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid (PubChem CID 22287027) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
PubChem CID22287027
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
SMILESO=C(O)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H13NO3/c22-19(20(23)24)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18)14-6-2-1-3-7-14/h1-12H,(H,23,24)
InChIKeyARILDIOLTRWTFA-UHFFFAOYSA-N
XLogP4.05
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone
CID 71739497
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598525
2-(9-phenylcarbazole-3-carboximidoyl)aniline
CID 89095733
[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
CID 167275551
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid?
The IUPAC name of 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid (CID 22287027) is 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid is O=C(O)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid?
The InChIKey is ARILDIOLTRWTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19(20(23)24)13-10-11-18-16(12-13)15-8-4-5-9-17(15)21(18)14-6-2-1-3-7-14/h1-12H,(H,23,24).
What are the key properties of 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid?
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid has a molecular weight of 315.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid is sourced from PubChem (CID 22287027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).