4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline

C35H27N3O2 — CID 91375658

IUPAC4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Oc5ccc(N)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C35H27N3O2/c36-28-10-18-32(19-11-28)39-30-14-6-25(7-15-30)34-22-27(24-4-2-1-3-5-24)23-35(38-34)26-8-16-31(17-9-26)40-33-20-12-29(37)13-21-33/h1-23H,36-37H2
InChIKeyUELLOKLEIJFHQI-UHFFFAOYSA-N
MW521.62 g/mol
LogP8.83
Rot. Bonds7

About 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline

4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline (PubChem CID 91375658) has the molecular formula C35H27N3O2 and a molecular weight of 521.62 g/mol. Its IUPAC name is 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline
PubChem CID91375658
Molecular FormulaC35H27N3O2
Molecular Weight521.62 g/mol
Exact Mass521.21
IUPAC Name4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Oc5ccc(N)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C35H27N3O2/c36-28-10-18-32(19-11-28)39-30-14-6-25(7-15-30)34-22-27(24-4-2-1-3-5-24)23-35(38-34)26-8-16-31(17-9-26)40-33-20-12-29(37)13-21-33/h1-23H,36-37H2
InChIKeyUELLOKLEIJFHQI-UHFFFAOYSA-N
XLogP8.83
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline?
The IUPAC name of 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline (CID 91375658) is 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline?
The canonical SMILES for 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline is Nc1ccc(Oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Oc5ccc(N)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline?
The InChIKey is UELLOKLEIJFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O2/c36-28-10-18-32(19-11-28)39-30-14-6-25(7-15-30)34-22-27(24-4-2-1-3-5-24)23-35(38-34)26-8-16-31(17-9-26)40-33-20-12-29(37)13-21-33/h1-23H,36-37H2.
What are the key properties of 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline?
4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline has a molecular weight of 521.62 g/mol, XLogP of 8.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(4-aminophenoxy)phenyl]-4-phenyl-2-pyridinyl]phenoxy]aniline is sourced from PubChem (CID 91375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).