9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid

C38H28N2O4 — CID 139816339

IUPAC9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
SMILESNc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C38H28N2O4/c39-33-9-3-5-11-35(33)43-27-18-14-25(15-19-27)38(26-16-20-28(21-17-26)44-36-12-6-4-10-34(36)40)31-8-2-1-7-29(31)30-23-24(37(41)42)13-22-32(30)38/h1-23H,39-40H2,(H,41,42)
InChIKeyOKYGUNWVUJSNPZ-UHFFFAOYSA-N
MW576.65 g/mol
LogP8.50
Rot. Bonds7

About 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid

9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid (PubChem CID 139816339) has the molecular formula C38H28N2O4 and a molecular weight of 576.65 g/mol. Its IUPAC name is 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid.

Molecular Properties

Compound Name9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
PubChem CID139816339
Molecular FormulaC38H28N2O4
Molecular Weight576.65 g/mol
Exact Mass576.20
IUPAC Name9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
SMILESNc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C38H28N2O4/c39-33-9-3-5-11-35(33)43-27-18-14-25(15-19-27)38(26-16-20-28(21-17-26)44-36-12-6-4-10-34(36)40)31-8-2-1-7-29(31)30-23-24(37(41)42)13-22-32(30)38/h1-23H,39-40H2,(H,41,42)
InChIKeyOKYGUNWVUJSNPZ-UHFFFAOYSA-N
XLogP8.50
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.65
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid
CID 139816347
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
CID 165155320
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
CID 58769608
CID 164799746
CID 164799746
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
2-amino-5-[4-[9-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenol
CID 22979019
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
4-[4-amino-3-(4-carboxyphenoxy)phenoxy]benzoic acid
CID 122388831

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid?
The IUPAC name of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid (CID 139816339) is 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid.
What is the SMILES notation for 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid?
The canonical SMILES for 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid is Nc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3cc(C(=O)O)ccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid?
The InChIKey is OKYGUNWVUJSNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O4/c39-33-9-3-5-11-35(33)43-27-18-14-25(15-19-27)38(26-16-20-28(21-17-26)44-36-12-6-4-10-34(36)40)31-8-2-1-7-29(31)30-23-24(37(41)42)13-22-32(30)38/h1-23H,39-40H2,(H,41,42).
What are the key properties of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid?
9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid has a molecular weight of 576.65 g/mol, XLogP of 8.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid is sourced from PubChem (CID 139816339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).