2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C65H108N2O22 — CID 25054671

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC1=C/C(=N/CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C/C1=C(/c1ccccc1)c1ccc(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1C
InChIInChI=1S/C65H108N2O22/c1-58-56-61(66-12-16-70-20-24-74-28-32-78-36-40-82-44-48-86-52-54-88-50-46-84-42-38-80-34-30-76-26-22-72-18-14-68)8-10-63(58)65(60-6-4-3-5-7-60)64-11-9-62(57-59(64)2)67-13-17-71-21-25-75-29-33-79-37-41-83-45-49-87-53-55-89-51-47-85-43-39-81-35-31-77-27-23-73-19-15-69/h3-11,56-57,66,68-69H,12-55H2,1-2H3/b65-64+,67-62+
InChIKeyKASYNGSCEBPQHI-ICHQMIJKSA-N
MW1269.57 g/mol
LogP4.48
Rot. Bonds67

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 25054671) has the molecular formula C65H108N2O22 and a molecular weight of 1269.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID25054671
Molecular FormulaC65H108N2O22
Molecular Weight1269.57 g/mol
Exact Mass1268.74
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC1=C/C(=N/CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C/C1=C(/c1ccccc1)c1ccc(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1C
InChIInChI=1S/C65H108N2O22/c1-58-56-61(66-12-16-70-20-24-74-28-32-78-36-40-82-44-48-86-52-54-88-50-46-84-42-38-80-34-30-76-26-22-72-18-14-68)8-10-63(58)65(60-6-4-3-5-7-60)64-11-9-62(57-59(64)2)67-13-17-71-21-25-75-29-33-79-37-41-83-45-49-87-53-55-89-51-47-85-43-39-81-35-31-77-27-23-73-19-15-69/h3-11,56-57,66,68-69H,12-55H2,1-2H3/b65-64+,67-62+
InChIKeyKASYNGSCEBPQHI-ICHQMIJKSA-N
XLogP4.48
TPSA249.45 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds67
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.57
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 25054671) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CC1=C/C(=N/CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C/C1=C(/c1ccccc1)c1ccc(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1C.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is KASYNGSCEBPQHI-ICHQMIJKSA-N. The full InChI is InChI=1S/C65H108N2O22/c1-58-56-61(66-12-16-70-20-24-74-28-32-78-36-40-82-44-48-86-52-54-88-50-46-84-42-38-80-34-30-76-26-22-72-18-14-68)8-10-63(58)65(60-6-4-3-5-7-60)64-11-9-62(57-59(64)2)67-13-17-71-21-25-75-29-33-79-37-41-83-45-49-87-53-55-89-51-47-85-43-39-81-35-31-77-27-23-73-19-15-69/h3-11,56-57,66,68-69H,12-55H2,1-2H3/b65-64+,67-62+.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 1269.57 g/mol, XLogP of 4.48, 67 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(E)-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylimino]-2-methylcyclohexa-2,5-dien-1-ylidene]-phenylmethyl]-3-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 25054671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).