4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline

C25H22N2 — CID 89008919

IUPAC4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)C3=C(C=CCC3)c3ccccc32)cc1
InChIInChI=1S/C25H22N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-3,5-7,9-16H,4,8,26-27H2
InChIKeyVJMYMUMXBZHRLL-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.30
Rot. Bonds2

About 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline

4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline (PubChem CID 89008919) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
PubChem CID89008919
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)C3=C(C=CCC3)c3ccccc32)cc1
InChIInChI=1S/C25H22N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-3,5-7,9-16H,4,8,26-27H2
InChIKeyVJMYMUMXBZHRLL-UHFFFAOYSA-N
XLogP5.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline?
The IUPAC name of 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline (CID 89008919) is 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline.
What is the SMILES notation for 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline?
The canonical SMILES for 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline is Nc1ccc(C2(c3ccc(N)cc3)C3=C(C=CCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline?
The InChIKey is VJMYMUMXBZHRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-3,5-7,9-16H,4,8,26-27H2.
What are the key properties of 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline?
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline has a molecular weight of 350.47 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline is sourced from PubChem (CID 89008919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).