[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone

C32H24N2O4 — CID 19828743

IUPAC[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
SMILESNc1cccc(C(=O)c2ccccc2)c1Oc1ccc(Oc2c(N)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O4/c33-27-15-7-13-25(29(35)21-9-3-1-4-10-21)31(27)37-23-17-19-24(20-18-23)38-32-26(14-8-16-28(32)34)30(36)22-11-5-2-6-12-22/h1-20H,33-34H2
InChIKeyUAIALDNYSCOJGN-UHFFFAOYSA-N
MW500.55 g/mol
LogP6.90
Rot. Bonds8

About [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone

[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone (PubChem CID 19828743) has the molecular formula C32H24N2O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
PubChem CID19828743
Molecular FormulaC32H24N2O4
Molecular Weight500.55 g/mol
Exact Mass500.17
IUPAC Name[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
SMILESNc1cccc(C(=O)c2ccccc2)c1Oc1ccc(Oc2c(N)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O4/c33-27-15-7-13-25(29(35)21-9-3-1-4-10-21)31(27)37-23-17-19-24(20-18-23)38-32-26(14-8-16-28(32)34)30(36)22-11-5-2-6-12-22/h1-20H,33-34H2
InChIKeyUAIALDNYSCOJGN-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone?
The IUPAC name of [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone (CID 19828743) is [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone is Nc1cccc(C(=O)c2ccccc2)c1Oc1ccc(Oc2c(N)cccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone?
The InChIKey is UAIALDNYSCOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4/c33-27-15-7-13-25(29(35)21-9-3-1-4-10-21)31(27)37-23-17-19-24(20-18-23)38-32-26(14-8-16-28(32)34)30(36)22-11-5-2-6-12-22/h1-20H,33-34H2.
What are the key properties of [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone?
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone 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 [3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 19828743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).