4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline

C55H82N2 — CID 22919480

IUPAC4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
SMILESCCCCCCCCCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCc2ccc(C(CCCCCCCCCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C55H82N2/c1-3-5-7-9-11-16-20-24-28-54(50-38-42-52(56)43-39-50)48-34-30-46(31-35-48)26-22-18-14-13-15-19-23-27-47-32-36-49(37-33-47)55(51-40-44-53(57)45-41-51)29-25-21-17-12-10-8-6-4-2/h30-45,54-55H,3-29,56-57H2,1-2H3
InChIKeyOTNBRHMYJSPNEE-UHFFFAOYSA-N
MW771.28 g/mol
LogP16.69
Rot. Bonds32

About 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline

4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline (PubChem CID 22919480) has the molecular formula C55H82N2 and a molecular weight of 771.28 g/mol. Its IUPAC name is 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
PubChem CID22919480
Molecular FormulaC55H82N2
Molecular Weight771.28 g/mol
Exact Mass770.65
IUPAC Name4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
SMILESCCCCCCCCCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCc2ccc(C(CCCCCCCCCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C55H82N2/c1-3-5-7-9-11-16-20-24-28-54(50-38-42-52(56)43-39-50)48-34-30-46(31-35-48)26-22-18-14-13-15-19-23-27-47-32-36-49(37-33-47)55(51-40-44-53(57)45-41-51)29-25-21-17-12-10-8-6-4-2/h30-45,54-55H,3-29,56-57H2,1-2H3
InChIKeyOTNBRHMYJSPNEE-UHFFFAOYSA-N
XLogP16.69
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.28
LogP ≤ 516.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline 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-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[5-[4-[1-(4-aminophenyl)hexyl]phenyl]pentyl]phenyl]hexyl]aniline
CID 22920456
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
CID 22919336
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline?
The IUPAC name of 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline (CID 22919480) is 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline.
What is the SMILES notation for 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline?
The canonical SMILES for 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline is CCCCCCCCCCC(c1ccc(N)cc1)c1ccc(CCCCCCCCCc2ccc(C(CCCCCCCCCC)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline?
The InChIKey is OTNBRHMYJSPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H82N2/c1-3-5-7-9-11-16-20-24-28-54(50-38-42-52(56)43-39-50)48-34-30-46(31-35-48)26-22-18-14-13-15-19-23-27-47-32-36-49(37-33-47)55(51-40-44-53(57)45-41-51)29-25-21-17-12-10-8-6-4-2/h30-45,54-55H,3-29,56-57H2,1-2H3.
What are the key properties of 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline?
4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline has a molecular weight of 771.28 g/mol, XLogP of 16.69, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline is sourced from PubChem (CID 22919480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).