4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline

C26H22N2O2 — CID 89251798

IUPAC4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline
SMILESCc1cccc2c1-c1ccccc1C2(Oc1ccc(N)cc1)Oc1ccc(N)cc1
InChIInChI=1S/C26H22N2O2/c1-17-5-4-8-24-25(17)22-6-2-3-7-23(22)26(24,29-20-13-9-18(27)10-14-20)30-21-15-11-19(28)12-16-21/h2-16H,27-28H2,1H3
InChIKeyCGIIRKZXTHNFJN-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.50
Rot. Bonds4

About 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline

4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline (PubChem CID 89251798) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline.

Molecular Properties

Compound Name4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline
PubChem CID89251798
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline
SMILESCc1cccc2c1-c1ccccc1C2(Oc1ccc(N)cc1)Oc1ccc(N)cc1
InChIInChI=1S/C26H22N2O2/c1-17-5-4-8-24-25(17)22-6-2-3-7-23(22)26(24,29-20-13-9-18(27)10-14-20)30-21-15-11-19(28)12-16-21/h2-16H,27-28H2,1H3
InChIKeyCGIIRKZXTHNFJN-UHFFFAOYSA-N
XLogP5.50
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline?
The IUPAC name of 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline (CID 89251798) is 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline.
What is the SMILES notation for 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline?
The canonical SMILES for 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline is Cc1cccc2c1-c1ccccc1C2(Oc1ccc(N)cc1)Oc1ccc(N)cc1.
What is the InChIKey of 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline?
The InChIKey is CGIIRKZXTHNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17-5-4-8-24-25(17)22-6-2-3-7-23(22)26(24,29-20-13-9-18(27)10-14-20)30-21-15-11-19(28)12-16-21/h2-16H,27-28H2,1H3.
What are the key properties of 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline?
4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline has a molecular weight of 394.47 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenoxy)-4-methylfluoren-9-yl]oxyaniline is sourced from PubChem (CID 89251798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).