1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid

C20H15NO2 — CID 172783159

IUPAC1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)cc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H15NO2/c21-15-7-5-12(6-8-15)17-10-14(20(22)23)11-18-16-4-2-1-3-13(16)9-19(17)18/h1-8,10-11H,9,21H2,(H,22,23)
InChIKeyONMFYONHJDTXHQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.21
Rot. Bonds2

About 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid

1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid (PubChem CID 172783159) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
PubChem CID172783159
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)cc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C20H15NO2/c21-15-7-5-12(6-8-15)17-10-14(20(22)23)11-18-16-4-2-1-3-13(16)9-19(17)18/h1-8,10-11H,9,21H2,(H,22,23)
InChIKeyONMFYONHJDTXHQ-UHFFFAOYSA-N
XLogP4.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-9H-fluoren-1-yl)benzoic acid
CID 151110814
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
CID 175028589
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
CID 19088523

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid?
The IUPAC name of 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid (CID 172783159) is 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid.
What is the SMILES notation for 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid?
The canonical SMILES for 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid is Nc1ccc(-c2cc(C(=O)O)cc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid?
The InChIKey is ONMFYONHJDTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c21-15-7-5-12(6-8-15)17-10-14(20(22)23)11-18-16-4-2-1-3-13(16)9-19(17)18/h1-8,10-11H,9,21H2,(H,22,23).
What are the key properties of 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid?
1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid is sourced from PubChem (CID 172783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).