3-[2-(9H-fluoren-4-yl)phenoxy]aniline

C25H19NO — CID 150306934

IUPAC3-[2-(9H-fluoren-4-yl)phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2-c2cccc3c2-c2ccccc2C3)c1
InChIInChI=1S/C25H19NO/c26-19-9-6-10-20(16-19)27-24-14-4-3-12-22(24)23-13-5-8-18-15-17-7-1-2-11-21(17)25(18)23/h1-14,16H,15,26H2
InChIKeyGKUJKDYKNPQKQH-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.30
Rot. Bonds3

About 3-[2-(9H-fluoren-4-yl)phenoxy]aniline

3-[2-(9H-fluoren-4-yl)phenoxy]aniline (PubChem CID 150306934) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-4-yl)phenoxy]aniline.

Molecular Properties

Compound Name3-[2-(9H-fluoren-4-yl)phenoxy]aniline
PubChem CID150306934
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name3-[2-(9H-fluoren-4-yl)phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2-c2cccc3c2-c2ccccc2C3)c1
InChIInChI=1S/C25H19NO/c26-19-9-6-10-20(16-19)27-24-14-4-3-12-22(24)23-13-5-8-18-15-17-7-1-2-11-21(17)25(18)23/h1-14,16H,15,26H2
InChIKeyGKUJKDYKNPQKQH-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline
CID 151877330
3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline
CID 172784310
3-[[7-(3-aminophenoxy)-9H-fluoren-2-yl]oxy]aniline
CID 89312250
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-4-yl)phenoxy]aniline?
The IUPAC name of 3-[2-(9H-fluoren-4-yl)phenoxy]aniline (CID 150306934) is 3-[2-(9H-fluoren-4-yl)phenoxy]aniline.
What is the SMILES notation for 3-[2-(9H-fluoren-4-yl)phenoxy]aniline?
The canonical SMILES for 3-[2-(9H-fluoren-4-yl)phenoxy]aniline is Nc1cccc(Oc2ccccc2-c2cccc3c2-c2ccccc2C3)c1.
What is the InChIKey of 3-[2-(9H-fluoren-4-yl)phenoxy]aniline?
The InChIKey is GKUJKDYKNPQKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c26-19-9-6-10-20(16-19)27-24-14-4-3-12-22(24)23-13-5-8-18-15-17-7-1-2-11-21(17)25(18)23/h1-14,16H,15,26H2.
What are the key properties of 3-[2-(9H-fluoren-4-yl)phenoxy]aniline?
3-[2-(9H-fluoren-4-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 3-[2-(9H-fluoren-4-yl)phenoxy]aniline is sourced from PubChem (CID 150306934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).