4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline

C49H70N2 — CID 22919999

IUPAC4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
SMILESCCCCCCCCCC(c1ccc(N)cc1)c1ccc(C(CCCC)c2ccc(C(CCCCCCCCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C49H70N2/c1-4-7-10-12-14-16-18-21-48(43-31-35-45(50)36-32-43)41-27-23-39(24-28-41)47(20-9-6-3)40-25-29-42(30-26-40)49(44-33-37-46(51)38-34-44)22-19-17-15-13-11-8-5-2/h23-38,47-49H,4-22,50-51H2,1-3H3
InChIKeyJGQIQSFVAXZKEY-UHFFFAOYSA-N
MW687.11 g/mol
LogP14.72
Rot. Bonds25

About 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline

4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline (PubChem CID 22919999) has the molecular formula C49H70N2 and a molecular weight of 687.11 g/mol. Its IUPAC name is 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
PubChem CID22919999
Molecular FormulaC49H70N2
Molecular Weight687.11 g/mol
Exact Mass686.55
IUPAC Name4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
SMILESCCCCCCCCCC(c1ccc(N)cc1)c1ccc(C(CCCC)c2ccc(C(CCCCCCCCC)c3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C49H70N2/c1-4-7-10-12-14-16-18-21-48(43-31-35-45(50)36-32-43)41-27-23-39(24-28-41)47(20-9-6-3)40-25-29-42(30-26-40)49(44-33-37-46(51)38-34-44)22-19-17-15-13-11-8-5-2/h23-38,47-49H,4-22,50-51H2,1-3H3
InChIKeyJGQIQSFVAXZKEY-UHFFFAOYSA-N
XLogP14.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.11
LogP ≤ 514.72
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-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]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-[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
4-[1-[4-[1-[4-[1-(4-aminophenyl)undecyl]phenyl]ethyl]phenyl]undecyl]aniline
CID 22921087
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
4-[1-(4-ethylphenyl)heptyl]aniline
CID 67687231
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
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-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
CID 22919480
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-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline?
The IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline (CID 22919999) is 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline.
What is the SMILES notation for 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline?
The canonical SMILES for 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline is CCCCCCCCCC(c1ccc(N)cc1)c1ccc(C(CCCC)c2ccc(C(CCCCCCCCC)c3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline?
The InChIKey is JGQIQSFVAXZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H70N2/c1-4-7-10-12-14-16-18-21-48(43-31-35-45(50)36-32-43)41-27-23-39(24-28-41)47(20-9-6-3)40-25-29-42(30-26-40)49(44-33-37-46(51)38-34-44)22-19-17-15-13-11-8-5-2/h23-38,47-49H,4-22,50-51H2,1-3H3.
What are the key properties of 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline?
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline has a molecular weight of 687.11 g/mol, XLogP of 14.72, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline is sourced from PubChem (CID 22919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).