4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline

C50H70N2 — CID 18976734

IUPAC4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline
SMILESCCCCCCC1CCC(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C50H70N2/c1-4-7-10-13-16-39-35-37-50(38-36-39,44-27-19-40(20-28-44)48(17-14-11-8-5-2)42-23-31-46(51)32-24-42)45-29-21-41(22-30-45)49(18-15-12-9-6-3)43-25-33-47(52)34-26-43/h19-34,39,48-49H,4-18,35-38,51-52H2,1-3H3
InChIKeyZZCZELYQWOIRNY-UHFFFAOYSA-N
MW699.12 g/mol
LogP14.50
Rot. Bonds21

About 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline

4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline (PubChem CID 18976734) has the molecular formula C50H70N2 and a molecular weight of 699.12 g/mol. Its IUPAC name is 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline.

Molecular Properties

Compound Name4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline
PubChem CID18976734
Molecular FormulaC50H70N2
Molecular Weight699.12 g/mol
Exact Mass698.55
IUPAC Name4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline
SMILESCCCCCCC1CCC(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C50H70N2/c1-4-7-10-13-16-39-35-37-50(38-36-39,44-27-19-40(20-28-44)48(17-14-11-8-5-2)42-23-31-46(51)32-24-42)45-29-21-41(22-30-45)49(18-15-12-9-6-3)43-25-33-47(52)34-26-43/h19-34,39,48-49H,4-18,35-38,51-52H2,1-3H3
InChIKeyZZCZELYQWOIRNY-UHFFFAOYSA-N
XLogP14.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.12
LogP ≤ 514.50
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)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]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)hexyl]phenyl]-4-decylcyclohexyl]phenyl]hexyl]aniline
CID 22920527
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]-4-nonylcyclohexyl]phenyl]pentyl]aniline
CID 22920819
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)decyl]phenyl]-4-pentylcyclohexyl]phenyl]decyl]-3-methylaniline
CID 22920607
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)nonyl]phenyl]-4-nonylcyclohexyl]phenyl]nonyl]-3-methylaniline
CID 22920998
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)nonyl]phenyl]-4-undecylcyclohexyl]phenyl]nonyl]-3-methylaniline
CID 22919849
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)decyl]phenyl]-4-decylcyclohexyl]phenyl]decyl]-3-methylaniline
CID 22920950
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)propyl]phenyl]-4-heptylcyclohexyl]phenyl]propyl]-3-methylaniline
CID 22919613
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316145
4-[[4-[1-[4-[(4-aminophenyl)methyl]phenyl]-4-[2-(4-octylcyclohexyl)ethyl]cyclohexyl]phenyl]methyl]aniline
CID 22316086
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]-4-ethylcyclohexyl]phenyl]undecyl]-3-methylaniline
CID 22369933
4-[1-[4-[1-[4-[1-(4-aminophenyl)prop-2-enyl]phenyl]-4-butylcyclohexyl]phenyl]prop-2-enyl]aniline
CID 70274530

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline?
The IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline (CID 18976734) is 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline.
What is the SMILES notation for 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline?
The canonical SMILES for 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline is CCCCCCC1CCC(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)(c2ccc(C(CCCCCC)c3ccc(N)cc3)cc2)CC1.
What is the InChIKey of 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline?
The InChIKey is ZZCZELYQWOIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H70N2/c1-4-7-10-13-16-39-35-37-50(38-36-39,44-27-19-40(20-28-44)48(17-14-11-8-5-2)42-23-31-46(51)32-24-42)45-29-21-41(22-30-45)49(18-15-12-9-6-3)43-25-33-47(52)34-26-43/h19-34,39,48-49H,4-18,35-38,51-52H2,1-3H3.
What are the key properties of 4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline?
4-[1-[4-[1-[4-[1-(4-aminophenyl)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline has a molecular weight of 699.12 g/mol, XLogP of 14.50, 21 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)heptyl]phenyl]-4-hexylcyclohexyl]phenyl]heptyl]aniline is sourced from PubChem (CID 18976734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).