4-[4-(9H-fluoren-1-yl)phenoxy]aniline

C25H19NO — CID 141303700

IUPAC4-[4-(9H-fluoren-1-yl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C25H19NO/c26-19-10-14-21(15-11-19)27-20-12-8-17(9-13-20)22-6-3-7-24-23-5-2-1-4-18(23)16-25(22)24/h1-15H,16,26H2
InChIKeyROXBONJQHNRKST-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.30
Rot. Bonds3

About 4-[4-(9H-fluoren-1-yl)phenoxy]aniline

4-[4-(9H-fluoren-1-yl)phenoxy]aniline (PubChem CID 141303700) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[4-(9H-fluoren-1-yl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(9H-fluoren-1-yl)phenoxy]aniline
PubChem CID141303700
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name4-[4-(9H-fluoren-1-yl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1
InChIInChI=1S/C25H19NO/c26-19-10-14-21(15-11-19)27-20-12-8-17(9-13-20)22-6-3-7-24-23-5-2-1-4-18(23)16-25(22)24/h1-15H,16,26H2
InChIKeyROXBONJQHNRKST-UHFFFAOYSA-N
XLogP6.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(9H-fluoren-1-yl)phenoxy]aniline?
The IUPAC name of 4-[4-(9H-fluoren-1-yl)phenoxy]aniline (CID 141303700) is 4-[4-(9H-fluoren-1-yl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(9H-fluoren-1-yl)phenoxy]aniline?
The canonical SMILES for 4-[4-(9H-fluoren-1-yl)phenoxy]aniline is Nc1ccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)cc1.
What is the InChIKey of 4-[4-(9H-fluoren-1-yl)phenoxy]aniline?
The InChIKey is ROXBONJQHNRKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c26-19-10-14-21(15-11-19)27-20-12-8-17(9-13-20)22-6-3-7-24-23-5-2-1-4-18(23)16-25(22)24/h1-15H,16,26H2.
What are the key properties of 4-[4-(9H-fluoren-1-yl)phenoxy]aniline?
4-[4-(9H-fluoren-1-yl)phenoxy]aniline has a molecular weight of 349.43 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9H-fluoren-1-yl)phenoxy]aniline is sourced from PubChem (CID 141303700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).