3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline

C25H20N2O2 — CID 89312250

IUPAC3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline
SMILESNc1cccc(Oc2ccc3c(c2)Cc2cc(Oc4cccc(N)c4)ccc2-3)c1
InChIInChI=1S/C25H20N2O2/c26-18-3-1-5-20(14-18)28-22-7-9-24-16(12-22)11-17-13-23(8-10-25(17)24)29-21-6-2-4-19(27)15-21/h1-10,12-15H,11,26-27H2
InChIKeyJLKMNRHYNLHQPT-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.01
Rot. Bonds4

About 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline

3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline (PubChem CID 89312250) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline.

Molecular Properties

Compound Name3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline
PubChem CID89312250
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline
SMILESNc1cccc(Oc2ccc3c(c2)Cc2cc(Oc4cccc(N)c4)ccc2-3)c1
InChIInChI=1S/C25H20N2O2/c26-18-3-1-5-20(14-18)28-22-7-9-24-16(12-22)11-17-13-23(8-10-25(17)24)29-21-6-2-4-19(27)15-21/h1-10,12-15H,11,26-27H2
InChIKeyJLKMNRHYNLHQPT-UHFFFAOYSA-N
XLogP6.01
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline?
The IUPAC name of 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline (CID 89312250) is 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline.
What is the SMILES notation for 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline?
The canonical SMILES for 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline is Nc1cccc(Oc2ccc3c(c2)Cc2cc(Oc4cccc(N)c4)ccc2-3)c1.
What is the InChIKey of 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline?
The InChIKey is JLKMNRHYNLHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c26-18-3-1-5-20(14-18)28-22-7-9-24-16(12-22)11-17-13-23(8-10-25(17)24)29-21-6-2-4-19(27)15-21/h1-10,12-15H,11,26-27H2.
What are the key properties of 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline?
3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline has a molecular weight of 380.45 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline is sourced from PubChem (CID 89312250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).