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

C32H24N2O4 — CID 4657281

IUPAC[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone
SMILESNc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H24N2O4/c33-25-9-17-29(18-10-25)37-27-13-5-23(6-14-27)31(35)21-1-2-22(4-3-21)32(36)24-7-15-28(16-8-24)38-30-19-11-26(34)12-20-30/h1-20H,33-34H2
InChIKeyHKWWRLBGQRLBRM-UHFFFAOYSA-N
MW500.55 g/mol
LogP6.90
Rot. Bonds8

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

[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone (PubChem CID 4657281) has the molecular formula C32H24N2O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone
PubChem CID4657281
Molecular FormulaC32H24N2O4
Molecular Weight500.55 g/mol
Exact Mass500.17
IUPAC Name[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone
SMILESNc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H24N2O4/c33-25-9-17-29(18-10-25)37-27-13-5-23(6-14-27)31(35)21-1-2-22(4-3-21)32(36)24-7-15-28(16-8-24)38-30-19-11-26(34)12-20-30/h1-20H,33-34H2
InChIKeyHKWWRLBGQRLBRM-UHFFFAOYSA-N
XLogP6.90
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone?
The IUPAC name of [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone (CID 4657281) is [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone.
What is the SMILES notation for [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone?
The canonical SMILES for [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone is Nc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone?
The InChIKey is HKWWRLBGQRLBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4/c33-25-9-17-29(18-10-25)37-27-13-5-23(6-14-27)31(35)21-1-2-22(4-3-21)32(36)24-7-15-28(16-8-24)38-30-19-11-26(34)12-20-30/h1-20H,33-34H2.
What are the key properties of [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone?
[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone has a molecular weight of 500.55 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone is sourced from PubChem (CID 4657281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).