4-(2,7-diethylcarbazol-9-yl)benzoic acid

C23H21NO2 — CID 139957754

IUPAC4-(2,7-diethylcarbazol-9-yl)benzoic acid
SMILESCCc1ccc2c3ccc(CC)cc3n(-c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C23H21NO2/c1-3-15-5-11-19-20-12-6-16(4-2)14-22(20)24(21(19)13-15)18-9-7-17(8-10-18)23(25)26/h5-14H,3-4H2,1-2H3,(H,25,26)
InChIKeyPTUGRRKNBLWSPK-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.61
Rot. Bonds4

About 4-(2,7-diethylcarbazol-9-yl)benzoic acid

4-(2,7-diethylcarbazol-9-yl)benzoic acid (PubChem CID 139957754) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2,7-diethylcarbazol-9-yl)benzoic acid.

Molecular Properties

Compound Name4-(2,7-diethylcarbazol-9-yl)benzoic acid
PubChem CID139957754
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name4-(2,7-diethylcarbazol-9-yl)benzoic acid
SMILESCCc1ccc2c3ccc(CC)cc3n(-c3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C23H21NO2/c1-3-15-5-11-19-20-12-6-16(4-2)14-22(20)24(21(19)13-15)18-9-7-17(8-10-18)23(25)26/h5-14H,3-4H2,1-2H3,(H,25,26)
InChIKeyPTUGRRKNBLWSPK-UHFFFAOYSA-N
XLogP5.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethylcarbazol-9-yl)phenyl]phosphonic acid
CID 177244403
3-(4-ethylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
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4-ethylbenzoic acid;formaldehyde
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4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
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4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938443
3-ethylbenzoic acid;propane
CID 177324794
4-[[7-(hydroxymethyl)pyrido[3,4-b]indol-9-yl]methyl]benzoic acid
CID 91328246
ethane;4-ethylbenzoic acid;pyridine
CID 90933398
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diethylcarbazol-9-yl)benzoic acid?
The IUPAC name of 4-(2,7-diethylcarbazol-9-yl)benzoic acid (CID 139957754) is 4-(2,7-diethylcarbazol-9-yl)benzoic acid.
What is the SMILES notation for 4-(2,7-diethylcarbazol-9-yl)benzoic acid?
The canonical SMILES for 4-(2,7-diethylcarbazol-9-yl)benzoic acid is CCc1ccc2c3ccc(CC)cc3n(-c3ccc(C(=O)O)cc3)c2c1.
What is the InChIKey of 4-(2,7-diethylcarbazol-9-yl)benzoic acid?
The InChIKey is PTUGRRKNBLWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-15-5-11-19-20-12-6-16(4-2)14-22(20)24(21(19)13-15)18-9-7-17(8-10-18)23(25)26/h5-14H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 4-(2,7-diethylcarbazol-9-yl)benzoic acid?
4-(2,7-diethylcarbazol-9-yl)benzoic acid has a molecular weight of 343.43 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diethylcarbazol-9-yl)benzoic acid is sourced from PubChem (CID 139957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).