3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

C48H36N2O7 — CID 22338635

IUPAC3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1cccc(Oc2cccc(Oc3ccc(Oc4ccc(Oc5ccc(Oc6ccc(Oc7cccc(Oc8cccc(N)c8)c7)cc6)cc5)cc4)cc3)c2)c1
InChIInChI=1S/C48H36N2O7/c49-33-5-1-7-43(29-33)56-47-11-3-9-45(31-47)54-41-25-21-39(22-26-41)52-37-17-13-35(14-18-37)51-36-15-19-38(20-16-36)53-40-23-27-42(28-24-40)55-46-10-4-12-48(32-46)57-44-8-2-6-34(50)30-44/h1-32H,49-50H2
InChIKeyUVGKLWOSORMRGE-UHFFFAOYSA-N
MW752.82 g/mol
LogP13.40
Rot. Bonds14

About 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (PubChem CID 22338635) has the molecular formula C48H36N2O7 and a molecular weight of 752.82 g/mol. Its IUPAC name is 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
PubChem CID22338635
Molecular FormulaC48H36N2O7
Molecular Weight752.82 g/mol
Exact Mass752.25
IUPAC Name3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1cccc(Oc2cccc(Oc3ccc(Oc4ccc(Oc5ccc(Oc6ccc(Oc7cccc(Oc8cccc(N)c8)c7)cc6)cc5)cc4)cc3)c2)c1
InChIInChI=1S/C48H36N2O7/c49-33-5-1-7-43(29-33)56-47-11-3-9-45(31-47)54-41-25-21-39(22-26-41)52-37-17-13-35(14-18-37)51-36-15-19-38(20-16-36)53-40-23-27-42(28-24-40)55-46-10-4-12-48(32-46)57-44-8-2-6-34(50)30-44/h1-32H,49-50H2
InChIKeyUVGKLWOSORMRGE-UHFFFAOYSA-N
XLogP13.40
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.82
LogP ≤ 513.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline with MolForge

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Related Compounds

3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
CID 141141650
4-(3-aminophenoxy)phenol;butane
CID 157302455

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The IUPAC name of 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (CID 22338635) is 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.
What is the SMILES notation for 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The canonical SMILES for 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is Nc1cccc(Oc2cccc(Oc3ccc(Oc4ccc(Oc5ccc(Oc6ccc(Oc7cccc(Oc8cccc(N)c8)c7)cc6)cc5)cc4)cc3)c2)c1.
What is the InChIKey of 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The InChIKey is UVGKLWOSORMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O7/c49-33-5-1-7-43(29-33)56-47-11-3-9-45(31-47)54-41-25-21-39(22-26-41)52-37-17-13-35(14-18-37)51-36-15-19-38(20-16-36)53-40-23-27-42(28-24-40)55-46-10-4-12-48(32-46)57-44-8-2-6-34(50)30-44/h1-32H,49-50H2.
What are the key properties of 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline has a molecular weight of 752.82 g/mol, XLogP of 13.40, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).