potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide

C36H40I3KN2 — CID 161130690

IUPACpotassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide
SMILESIc1ccc(C2(c3ccc(I)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.[I-].[K+]
InChIInChI=1S/C18H18I2.C18H22N2.HI.K/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;;/h4-11H,1-3,12-13H2;4-11H,1-3,12-13,19-20H2;1H;/q;;;+1/p-1
InChIKeyUMDHTIYQNTYJOV-UHFFFAOYSA-M
MW920.54 g/mol
LogP4.26
Rot. Bonds4

About potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide

potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide (PubChem CID 161130690) has the molecular formula C36H40I3KN2 and a molecular weight of 920.54 g/mol. Its IUPAC name is potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide.

Molecular Properties

Compound Namepotassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide
PubChem CID161130690
Molecular FormulaC36H40I3KN2
Molecular Weight920.54 g/mol
Exact Mass920.00
IUPAC Namepotassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide
SMILESIc1ccc(C2(c3ccc(I)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.[I-].[K+]
InChIInChI=1S/C18H18I2.C18H22N2.HI.K/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;;/h4-11H,1-3,12-13H2;4-11H,1-3,12-13,19-20H2;1H;/q;;;+1/p-1
InChIKeyUMDHTIYQNTYJOV-UHFFFAOYSA-M
XLogP4.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500920.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide?
The IUPAC name of potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide (CID 161130690) is potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide.
What is the SMILES notation for potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide?
The canonical SMILES for potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide is Ic1ccc(C2(c3ccc(I)cc3)CCCCC2)cc1.Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1.[I-].[K+].
What is the InChIKey of potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide?
The InChIKey is UMDHTIYQNTYJOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18I2.C18H22N2.HI.K/c2*19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;;/h4-11H,1-3,12-13H2;4-11H,1-3,12-13,19-20H2;1H;/q;;;+1/p-1.
What are the key properties of potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide?
potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide has a molecular weight of 920.54 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[1-(4-aminophenyl)cyclohexyl]aniline;1-iodo-4-[1-(4-iodophenyl)cyclohexyl]benzene;iodide is sourced from PubChem (CID 161130690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).