bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone

C43H40N2O3 — CID 22415190

IUPACbis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
SMILESCC(C)(c1cccc(N)c1)c1cccc(Oc2ccc(C(=O)c3ccc(Oc4cccc(C(C)(C)c5cccc(N)c5)c4)cc3)cc2)c1
InChIInChI=1S/C43H40N2O3/c1-42(2,31-9-5-13-35(44)25-31)33-11-7-15-39(27-33)47-37-21-17-29(18-22-37)41(46)30-19-23-38(24-20-30)48-40-16-8-12-34(28-40)43(3,4)32-10-6-14-36(45)26-32/h5-28H,44-45H2,1-4H3
InChIKeyJGKIQDNPHOVVAI-UHFFFAOYSA-N
MW632.80 g/mol
LogP10.32
Rot. Bonds10

About bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone

bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone (PubChem CID 22415190) has the molecular formula C43H40N2O3 and a molecular weight of 632.80 g/mol. Its IUPAC name is bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
PubChem CID22415190
Molecular FormulaC43H40N2O3
Molecular Weight632.80 g/mol
Exact Mass632.30
IUPAC Namebis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone
SMILESCC(C)(c1cccc(N)c1)c1cccc(Oc2ccc(C(=O)c3ccc(Oc4cccc(C(C)(C)c5cccc(N)c5)c4)cc3)cc2)c1
InChIInChI=1S/C43H40N2O3/c1-42(2,31-9-5-13-35(44)25-31)33-11-7-15-39(27-33)47-37-21-17-29(18-22-37)41(46)30-19-23-38(24-20-30)48-40-16-8-12-34(28-40)43(3,4)32-10-6-14-36(45)26-32/h5-28H,44-45H2,1-4H3
InChIKeyJGKIQDNPHOVVAI-UHFFFAOYSA-N
XLogP10.32
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.80
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
[6-[4-(3-aminophenoxy)benzoyl]naphthalen-2-yl]-[4-(3-aminophenoxy)phenyl]methanone
CID 177406182
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
bis[4-[2-[4-(4-aminophenoxy)-2-phenoxyphenyl]propan-2-yl]phenyl]methanone
CID 67683223
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402

Frequently Asked Questions

What is the IUPAC name of bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone?
The IUPAC name of bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone (CID 22415190) is bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone.
What is the SMILES notation for bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone?
The canonical SMILES for bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone is CC(C)(c1cccc(N)c1)c1cccc(Oc2ccc(C(=O)c3ccc(Oc4cccc(C(C)(C)c5cccc(N)c5)c4)cc3)cc2)c1.
What is the InChIKey of bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone?
The InChIKey is JGKIQDNPHOVVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2O3/c1-42(2,31-9-5-13-35(44)25-31)33-11-7-15-39(27-33)47-37-21-17-29(18-22-37)41(46)30-19-23-38(24-20-30)48-40-16-8-12-34(28-40)43(3,4)32-10-6-14-36(45)26-32/h5-28H,44-45H2,1-4H3.
What are the key properties of bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone?
bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone has a molecular weight of 632.80 g/mol, XLogP of 10.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[3-[2-(3-aminophenyl)propan-2-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 22415190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).