3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

C48H36N2O7 — CID 22338441

IUPAC3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6cccc(N)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C48H36N2O7/c49-33-7-5-9-43(31-33)53-39-19-15-35(16-20-39)51-37-23-27-41(28-24-37)55-45-11-1-3-13-47(45)57-48-14-4-2-12-46(48)56-42-29-25-38(26-30-42)52-36-17-21-40(22-18-36)54-44-10-6-8-34(50)32-44/h1-32H,49-50H2
InChIKeyJFGCENDVSNJCMV-UHFFFAOYSA-N
MW752.82 g/mol
LogP13.40
Rot. Bonds14

About 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline

3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (PubChem CID 22338441) has the molecular formula C48H36N2O7 and a molecular weight of 752.82 g/mol. Its IUPAC name is 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
PubChem CID22338441
Molecular FormulaC48H36N2O7
Molecular Weight752.82 g/mol
Exact Mass752.25
IUPAC Name3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6cccc(N)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C48H36N2O7/c49-33-7-5-9-43(31-33)53-39-19-15-35(16-20-39)51-37-23-27-41(28-24-37)55-45-11-1-3-13-47(45)57-48-14-4-2-12-46(48)56-42-29-25-38(26-30-42)52-36-17-21-40(22-18-36)54-44-10-6-8-34(50)32-44/h1-32H,49-50H2
InChIKeyJFGCENDVSNJCMV-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-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline with MolForge

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Related Compounds

3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-chlorophenoxy]-2-chlorophenoxy]phenoxy]aniline
CID 22338531
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
CID 118976058
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The IUPAC name of 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline (CID 22338441) is 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline.
What is the SMILES notation for 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The canonical SMILES for 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is Nc1cccc(Oc2ccc(Oc3ccc(Oc4ccccc4Oc4ccccc4Oc4ccc(Oc5ccc(Oc6cccc(N)c6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
The InChIKey is JFGCENDVSNJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O7/c49-33-7-5-9-43(31-33)53-39-19-15-35(16-20-39)51-37-23-27-41(28-24-37)55-45-11-1-3-13-47(45)57-48-14-4-2-12-46(48)56-42-29-25-38(26-30-42)52-36-17-21-40(22-18-36)54-44-10-6-8-34(50)32-44/h1-32H,49-50H2.
What are the key properties of 3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline?
3-[4-[4-[2-[2-[4-[4-(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-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline is sourced from PubChem (CID 22338441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).