3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline

C101H138N4O4 — CID 160676942

IUPAC3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline
SMILESCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1.CCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1
InChIInChI=1S/C51H70N2O2.C50H68N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-40-22-24-41(25-23-40)42-34-36-51(37-35-42,43-26-30-47(31-27-43)54-49-20-15-18-45(52)38-49)44-28-32-48(33-29-44)55-50-21-16-19-46(53)39-50;1-2-3-4-5-6-7-8-9-10-11-12-13-16-39-21-23-40(24-22-39)41-33-35-50(36-34-41,42-25-29-46(30-26-42)53-48-19-14-17-44(51)37-48)43-27-31-47(32-28-43)54-49-20-15-18-45(52)38-49/h15-16,18-21,26-33,38-42H,2-14,17,22-25,34-37,52-53H2,1H3;14-15,17-20,25-32,37-41H,2-13,16,21-24,33-36,51-52H2,1H3
InChIKeyRNQPTEUROFALKL-UHFFFAOYSA-N
MW1472.24 g/mol
LogP30.01
Rot. Bonds41

About 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline

3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline (PubChem CID 160676942) has the molecular formula C101H138N4O4 and a molecular weight of 1472.24 g/mol. Its IUPAC name is 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline
PubChem CID160676942
Molecular FormulaC101H138N4O4
Molecular Weight1472.24 g/mol
Exact Mass1471.07
IUPAC Name3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline
SMILESCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1.CCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1
InChIInChI=1S/C51H70N2O2.C50H68N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-40-22-24-41(25-23-40)42-34-36-51(37-35-42,43-26-30-47(31-27-43)54-49-20-15-18-45(52)38-49)44-28-32-48(33-29-44)55-50-21-16-19-46(53)39-50;1-2-3-4-5-6-7-8-9-10-11-12-13-16-39-21-23-40(24-22-39)41-33-35-50(36-34-41,42-25-29-46(30-26-42)53-48-19-14-17-44(51)37-48)43-27-31-47(32-28-43)54-49-20-15-18-45(52)38-49/h15-16,18-21,26-33,38-42H,2-14,17,22-25,34-37,52-53H2,1H3;14-15,17-20,25-32,37-41H,2-13,16,21-24,33-36,51-52H2,1H3
InChIKeyRNQPTEUROFALKL-UHFFFAOYSA-N
XLogP30.01
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds41
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001472.24
LogP ≤ 530.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline with MolForge

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Related Compounds

3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-heptylcyclohexyl]phenoxy]aniline
CID 19873674
3-[4-[1-[4-(3-aminophenoxy)-3,5-dimethylphenyl]-4-(4-nonylcyclohexyl)cyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873644
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873627
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-(4-octylcyclohexyl)cyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873635
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-(4-pentylcyclohexyl)cyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873653
4-[4-[1-[4-(4-aminophenoxy)phenyl]-4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenoxy]aniline
CID 70662865
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene
CID 57189896
1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-4-[2-(4-nonadecylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54114865
[4-[4-(4-heptylcyclohexyl)-1-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 89417596
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-dodecylcyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873658

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline?
The IUPAC name of 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline (CID 160676942) is 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline.
What is the SMILES notation for 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline?
The canonical SMILES for 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline is CCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1.CCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccc(Oc4cccc(N)c4)cc3)(c3ccc(Oc4cccc(N)c4)cc3)CC2)CC1.
What is the InChIKey of 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline?
The InChIKey is RNQPTEUROFALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H70N2O2.C50H68N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-40-22-24-41(25-23-40)42-34-36-51(37-35-42,43-26-30-47(31-27-43)54-49-20-15-18-45(52)38-49)44-28-32-48(33-29-44)55-50-21-16-19-46(53)39-50;1-2-3-4-5-6-7-8-9-10-11-12-13-16-39-21-23-40(24-22-39)41-33-35-50(36-34-41,42-25-29-46(30-26-42)53-48-19-14-17-44(51)37-48)43-27-31-47(32-28-43)54-49-20-15-18-45(52)38-49/h15-16,18-21,26-33,38-42H,2-14,17,22-25,34-37,52-53H2,1H3;14-15,17-20,25-32,37-41H,2-13,16,21-24,33-36,51-52H2,1H3.
What are the key properties of 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline?
3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline has a molecular weight of 1472.24 g/mol, XLogP of 30.01, 41 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-pentadecylcyclohexyl)cyclohexyl]phenoxy]aniline;3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-(4-tetradecylcyclohexyl)cyclohexyl]phenoxy]aniline is sourced from PubChem (CID 160676942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).