4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

C48H36N2O7 — CID 22338538

IUPAC4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2O7/c49-33-9-13-35(14-10-33)51-37-17-21-39(22-18-37)53-41-25-29-43(30-26-41)55-45-5-1-3-7-47(45)57-48-8-4-2-6-46(48)56-44-31-27-42(28-32-44)54-40-23-19-38(20-24-40)52-36-15-11-34(50)12-16-36/h1-32H,49-50H2
InChIKeyLAFXTBCGQQOHPF-UHFFFAOYSA-N
MW752.82 g/mol
LogP13.40
Rot. Bonds14

About 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (PubChem CID 22338538) has the molecular formula C48H36N2O7 and a molecular weight of 752.82 g/mol. Its IUPAC name is 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
PubChem CID22338538
Molecular FormulaC48H36N2O7
Molecular Weight752.82 g/mol
Exact Mass752.25
IUPAC Name4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2O7/c49-33-9-13-35(14-10-33)51-37-17-21-39(22-18-37)53-41-25-29-43(30-26-41)55-45-5-1-3-7-47(45)57-48-8-4-2-6-46(48)56-44-31-27-42(28-32-44)54-40-23-19-38(20-24-40)52-36-15-11-34(50)12-16-36/h1-32H,49-50H2
InChIKeyLAFXTBCGQQOHPF-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline with MolForge

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Related Compounds

4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-phenoxyaniline
CID 158390066
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
4-(4-aminophenoxy)aniline
CID 161415647
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
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253700

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The IUPAC name of 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (CID 22338538) is 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.
What is the SMILES notation for 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The canonical SMILES for 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is Nc1ccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The InChIKey is LAFXTBCGQQOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O7/c49-33-9-13-35(14-10-33)51-37-17-21-39(22-18-37)53-41-25-29-43(30-26-41)55-45-5-1-3-7-47(45)57-48-8-4-2-6-46(48)56-44-31-27-42(28-32-44)54-40-23-19-38(20-24-40)52-36-15-11-34(50)12-16-36/h1-32H,49-50H2.
What are the key properties of 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
4-[4-[4-[2-[2-[4-[4-(4-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 4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).