[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone

C38H28N2O5 — CID 70183152

IUPAC[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
SMILESNc1ccc(Oc2ccccc2C(=O)c2ccc(Oc3ccc(C(=O)c4ccccc4Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N2O5/c39-27-13-21-31(22-14-27)44-35-7-3-1-5-33(35)37(41)25-9-17-29(18-10-25)43-30-19-11-26(12-20-30)38(42)34-6-2-4-8-36(34)45-32-23-15-28(40)16-24-32/h1-24H,39-40H2
InChIKeySMXBIQVKJDRLFF-UHFFFAOYSA-N
MW592.65 g/mol
LogP8.69
Rot. Bonds10

About [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone

[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone (PubChem CID 70183152) has the molecular formula C38H28N2O5 and a molecular weight of 592.65 g/mol. Its IUPAC name is [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
PubChem CID70183152
Molecular FormulaC38H28N2O5
Molecular Weight592.65 g/mol
Exact Mass592.20
IUPAC Name[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
SMILESNc1ccc(Oc2ccccc2C(=O)c2ccc(Oc3ccc(C(=O)c4ccccc4Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N2O5/c39-27-13-21-31(22-14-27)44-35-7-3-1-5-33(35)37(41)25-9-17-29(18-10-25)43-30-19-11-26(12-20-30)38(42)34-6-2-4-8-36(34)45-32-23-15-28(40)16-24-32/h1-24H,39-40H2
InChIKeySMXBIQVKJDRLFF-UHFFFAOYSA-N
XLogP8.69
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.65
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-(2-phenoxybenzoyl)benzenecarboximidamide
CID 71388814
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
CID 159196325
[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
CID 22633805
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
2-[2-[2-(2-aminophenoxy)phenyl]sulfanylphenoxy]aniline;bis[4-(4-aminophenoxy)phenyl]methanone
CID 162088746
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone?
The IUPAC name of [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone (CID 70183152) is [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone.
What is the SMILES notation for [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone?
The canonical SMILES for [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone is Nc1ccc(Oc2ccccc2C(=O)c2ccc(Oc3ccc(C(=O)c4ccccc4Oc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone?
The InChIKey is SMXBIQVKJDRLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O5/c39-27-13-21-31(22-14-27)44-35-7-3-1-5-33(35)37(41)25-9-17-29(18-10-25)43-30-19-11-26(12-20-30)38(42)34-6-2-4-8-36(34)45-32-23-15-28(40)16-24-32/h1-24H,39-40H2.
What are the key properties of [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone?
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone has a molecular weight of 592.65 g/mol, XLogP of 8.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone is sourced from PubChem (CID 70183152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).