3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline

C29H23N3O2 — CID 172784310

IUPAC3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2-c2cccnc2-c2ccccc2Oc2cccc(N)c2)c1
InChIInChI=1S/C29H23N3O2/c30-20-8-5-10-22(18-20)33-27-15-3-1-12-24(27)25-14-7-17-32-29(25)26-13-2-4-16-28(26)34-23-11-6-9-21(31)19-23/h1-19H,30-31H2
InChIKeyORGSIXCIWLWWNN-UHFFFAOYSA-N
MW445.52 g/mol
LogP7.16
Rot. Bonds6

About 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline

3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline (PubChem CID 172784310) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline
PubChem CID172784310
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccccc2-c2cccnc2-c2ccccc2Oc2cccc(N)c2)c1
InChIInChI=1S/C29H23N3O2/c30-20-8-5-10-22(18-20)33-27-15-3-1-12-24(27)25-14-7-17-32-29(25)26-13-2-4-16-28(26)34-23-11-6-9-21(31)19-23/h1-19H,30-31H2
InChIKeyORGSIXCIWLWWNN-UHFFFAOYSA-N
XLogP7.16
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline?
The IUPAC name of 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline (CID 172784310) is 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline.
What is the SMILES notation for 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline?
The canonical SMILES for 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline is Nc1cccc(Oc2ccccc2-c2cccnc2-c2ccccc2Oc2cccc(N)c2)c1.
What is the InChIKey of 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline?
The InChIKey is ORGSIXCIWLWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c30-20-8-5-10-22(18-20)33-27-15-3-1-12-24(27)25-14-7-17-32-29(25)26-13-2-4-16-28(26)34-23-11-6-9-21(31)19-23/h1-19H,30-31H2.
What are the key properties of 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline?
3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline has a molecular weight of 445.52 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(3-aminophenoxy)phenyl]-3-pyridinyl]phenoxy]aniline is sourced from PubChem (CID 172784310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).