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

C38H28N2O4 — CID 139816347

IUPAC9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid
SMILESNc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3c(C(=O)O)cccc32)cc1
InChIInChI=1S/C38H28N2O4/c39-32-12-3-5-14-34(32)43-26-20-16-24(17-21-26)38(25-18-22-27(23-19-25)44-35-15-6-4-13-33(35)40)30-10-2-1-8-28(30)36-29(37(41)42)9-7-11-31(36)38/h1-23H,39-40H2,(H,41,42)
InChIKeyPCHFFGCQJVRLDU-UHFFFAOYSA-N
MW576.65 g/mol
LogP8.50
Rot. Bonds7

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

9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid (PubChem CID 139816347) 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-4-carboxylic acid.

Molecular Properties

Compound Name9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid
PubChem CID139816347
Molecular FormulaC38H28N2O4
Molecular Weight576.65 g/mol
Exact Mass576.20
IUPAC Name9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid
SMILESNc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3c(C(=O)O)cccc32)cc1
InChIInChI=1S/C38H28N2O4/c39-32-12-3-5-14-34(32)43-26-20-16-24(17-21-26)38(25-18-22-27(23-19-25)44-35-15-6-4-13-33(35)40)30-10-2-1-8-28(30)36-29(37(41)42)9-7-11-31(36)38/h1-23H,39-40H2,(H,41,42)
InChIKeyPCHFFGCQJVRLDU-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-3-carboxylic acid
CID 139816339
9,9-bis(4-amino-3,5-diethylphenyl)fluorene-4-carboxylic acid
CID 139612538
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
6-amino-3-[4-[9-[4-(4-amino-2-fluoro-3-hydroxyphenoxy)phenyl]fluoren-9-yl]phenoxy]-2-fluorophenol
CID 165155320
3-[4-[9-[4-(2,3-dicarboxyphenyl)phenyl]fluoren-9-yl]phenyl]phthalic acid
CID 174656697
9,9-diphenylfluorene-1-carboxylic acid
CID 140854429
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
8-amino-9,10-dioxoanthracene-1-carboxylic acid
CID 10683232
2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid
CID 164757649
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid?
The IUPAC name of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid (CID 139816347) is 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid.
What is the SMILES notation for 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid?
The canonical SMILES for 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid is Nc1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4N)cc3)c3ccccc3-c3c(C(=O)O)cccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid?
The InChIKey is PCHFFGCQJVRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O4/c39-32-12-3-5-14-34(32)43-26-20-16-24(17-21-26)38(25-18-22-27(23-19-25)44-35-15-6-4-13-33(35)40)30-10-2-1-8-28(30)36-29(37(41)42)9-7-11-31(36)38/h1-23H,39-40H2,(H,41,42).
What are the key properties of 9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-carboxylic acid?
9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-4-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-4-carboxylic acid is sourced from PubChem (CID 139816347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).