2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid

C23H14FNO2 — CID 150188648

IUPAC2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid
SMILESO=C(O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13
InChIInChI=1S/C23H14FNO2/c24-16-10-8-14(9-11-16)15-12-17(22(26)27)18-5-3-7-21-23(18,13-15)19-4-1-2-6-20(19)25-21/h1-13H,(H,26,27)
InChIKeyFMYWIMIKJRWMFA-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.75
Rot. Bonds2

About 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid

2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid (PubChem CID 150188648) has the molecular formula C23H14FNO2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid
PubChem CID150188648
Molecular FormulaC23H14FNO2
Molecular Weight355.37 g/mol
Exact Mass355.10
IUPAC Name2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid
SMILESO=C(O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13
InChIInChI=1S/C23H14FNO2/c24-16-10-8-14(9-11-16)15-12-17(22(26)27)18-5-3-7-21-23(18,13-15)19-4-1-2-6-20(19)25-21/h1-13H,(H,26,27)
InChIKeyFMYWIMIKJRWMFA-UHFFFAOYSA-N
XLogP4.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid (CID 150188648) is 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid is O=C(O)C1=CC(c2ccc(F)cc2)=CC23C1=CC=CC2=Nc1ccccc13.
What is the InChIKey of 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid?
The InChIKey is FMYWIMIKJRWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO2/c24-16-10-8-14(9-11-16)15-12-17(22(26)27)18-5-3-7-21-23(18,13-15)19-4-1-2-6-20(19)25-21/h1-13H,(H,26,27).
What are the key properties of 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid?
2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)benzo[d]carbazole-4-carboxylic acid is sourced from PubChem (CID 150188648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).