4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline

C49H38N2O2 — CID 176584730

IUPAC4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline
SMILESNc1ccc(-c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H38N2O2/c50-43-23-11-35(12-24-43)37-15-27-45(28-16-37)52-47-31-19-41(20-32-47)49(39-7-3-1-4-8-39,40-9-5-2-6-10-40)42-21-33-48(34-22-42)53-46-29-17-38(18-30-46)36-13-25-44(51)26-14-36/h1-34H,50-51H2
InChIKeyFMXVTJNFROLUEX-UHFFFAOYSA-N
MW686.86 g/mol
LogP12.15
Rot. Bonds10

About 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline

4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline (PubChem CID 176584730) has the molecular formula C49H38N2O2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline
PubChem CID176584730
Molecular FormulaC49H38N2O2
Molecular Weight686.86 g/mol
Exact Mass686.29
IUPAC Name4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline
SMILESNc1ccc(-c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C49H38N2O2/c50-43-23-11-35(12-24-43)37-15-27-45(28-16-37)52-47-31-19-41(20-32-47)49(39-7-3-1-4-8-39,40-9-5-2-6-10-40)42-21-33-48(34-22-42)53-46-29-17-38(18-30-46)36-13-25-44(51)26-14-36/h1-34H,50-51H2
InChIKeyFMXVTJNFROLUEX-UHFFFAOYSA-N
XLogP12.15
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 512.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxyaniline
CID 158390066
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 19763520
4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
CID 102043928
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline?
The IUPAC name of 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline (CID 176584730) is 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline.
What is the SMILES notation for 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline?
The canonical SMILES for 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline is Nc1ccc(-c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline?
The InChIKey is FMXVTJNFROLUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2O2/c50-43-23-11-35(12-24-43)37-15-27-45(28-16-37)52-47-31-19-41(20-32-47)49(39-7-3-1-4-8-39,40-9-5-2-6-10-40)42-21-33-48(34-22-42)53-46-29-17-38(18-30-46)36-13-25-44(51)26-14-36/h1-34H,50-51H2.
What are the key properties of 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline?
4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline has a molecular weight of 686.86 g/mol, XLogP of 12.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[4-[4-(4-aminophenyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]aniline is sourced from PubChem (CID 176584730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).