1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene

C48H60N2O6 — CID 57189896

IUPAC1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene
SMILESCCCCCCCCCCC1CCC(CCC2CCC(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2)CC1
InChIInChI=1S/C48H60N2O6/c1-2-3-4-5-6-7-8-9-10-37-11-13-38(14-12-37)15-16-39-33-35-48(36-34-39,40-17-25-44(26-18-40)55-46-29-21-42(22-30-46)49(51)52)41-19-27-45(28-20-41)56-47-31-23-43(24-32-47)50(53)54/h17-32,37-39H,2-16,33-36H2,1H3
InChIKeyDOGVZVCZDVQJPT-UHFFFAOYSA-N
MW761.02 g/mol
LogP14.68
Rot. Bonds20

About 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene

1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene (PubChem CID 57189896) has the molecular formula C48H60N2O6 and a molecular weight of 761.02 g/mol. Its IUPAC name is 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene
PubChem CID57189896
Molecular FormulaC48H60N2O6
Molecular Weight761.02 g/mol
Exact Mass760.45
IUPAC Name1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene
SMILESCCCCCCCCCCC1CCC(CCC2CCC(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2)CC1
InChIInChI=1S/C48H60N2O6/c1-2-3-4-5-6-7-8-9-10-37-11-13-38(14-12-37)15-16-39-33-35-48(36-34-39,40-17-25-44(26-18-40)55-46-29-21-42(22-30-46)49(51)52)41-19-27-45(28-20-41)56-47-31-23-43(24-32-47)50(53)54/h17-32,37-39H,2-16,33-36H2,1H3
InChIKeyDOGVZVCZDVQJPT-UHFFFAOYSA-N
XLogP14.68
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene 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

1-(4-nitrophenoxy)-4-[1-[4-(4-nitrophenoxy)phenyl]-4-[2-(4-nonadecylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54114865
[4-[4-[4-[2-(4-heptylcyclohexyl)ethyl]-1-[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]cyclohexyl]phenoxy]phenyl] 2-methylprop-2-enoate
CID 89417616
3-[4-[1-[4-(3-aminophenoxy)phenyl]-4-heptylcyclohexyl]phenoxy]aniline
CID 19873674
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
4-[4-[1-[4-(4-aminophenoxy)phenyl]-4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]phenoxy]aniline
CID 70662865
5-heptyl-2-[5-heptyl-2-(4-methoxyphenyl)-1,3-dithian-2-yl]-2-(4-nitrophenyl)-1,3-dithiane
CID 88740536
[4-[4-(4-heptylcyclohexyl)-1-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 89417596
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
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
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene?
The IUPAC name of 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene (CID 57189896) is 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene is CCCCCCCCCCC1CCC(CCC2CCC(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)(c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene?
The InChIKey is DOGVZVCZDVQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60N2O6/c1-2-3-4-5-6-7-8-9-10-37-11-13-38(14-12-37)15-16-39-33-35-48(36-34-39,40-17-25-44(26-18-40)55-46-29-21-42(22-30-46)49(51)52)41-19-27-45(28-20-41)56-47-31-23-43(24-32-47)50(53)54/h17-32,37-39H,2-16,33-36H2,1H3.
What are the key properties of 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene?
1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene has a molecular weight of 761.02 g/mol, XLogP of 14.68, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-decylcyclohexyl)ethyl]-1-[4-(4-nitrophenoxy)phenyl]cyclohexyl]-4-(4-nitrophenoxy)benzene is sourced from PubChem (CID 57189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).