2-(9H-carbazole-1-carbonyl)benzoic acid

C20H13NO3 — CID 54401477

IUPAC2-(9H-carbazole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H13NO3/c22-19(14-7-1-2-8-15(14)20(23)24)16-10-5-9-13-12-6-3-4-11-17(12)21-18(13)16/h1-11,21H,(H,23,24)
InChIKeyVNSRYMBRFVPDCM-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.25
Rot. Bonds3

About 2-(9H-carbazole-1-carbonyl)benzoic acid

2-(9H-carbazole-1-carbonyl)benzoic acid (PubChem CID 54401477) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(9H-carbazole-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(9H-carbazole-1-carbonyl)benzoic acid
PubChem CID54401477
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-(9H-carbazole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H13NO3/c22-19(14-7-1-2-8-15(14)20(23)24)16-10-5-9-13-12-6-3-4-11-17(12)21-18(13)16/h1-11,21H,(H,23,24)
InChIKeyVNSRYMBRFVPDCM-UHFFFAOYSA-N
XLogP4.25
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
CID 2793732
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
9H-carbazole;carbonic acid
CID 67577328
1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
2-iodo-9-oxo-10H-acridine-4-carboxylic acid
CID 59228731
benzoic acid;9H-carbazole
CID 162147282
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazole-1-carbonyl)benzoic acid?
The IUPAC name of 2-(9H-carbazole-1-carbonyl)benzoic acid (CID 54401477) is 2-(9H-carbazole-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(9H-carbazole-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(9H-carbazole-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(9H-carbazole-1-carbonyl)benzoic acid?
The InChIKey is VNSRYMBRFVPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-19(14-7-1-2-8-15(14)20(23)24)16-10-5-9-13-12-6-3-4-11-17(12)21-18(13)16/h1-11,21H,(H,23,24).
What are the key properties of 2-(9H-carbazole-1-carbonyl)benzoic acid?
2-(9H-carbazole-1-carbonyl)benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazole-1-carbonyl)benzoic acid is sourced from PubChem (CID 54401477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).