4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile

C35H34N2O5 — CID 15860713

IUPAC4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(OCCOCCOCCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N
InChIInChI=1S/C35H34N2O5/c36-27-29-16-17-34(26-30(29)28-37)41-24-22-39-20-18-38-19-21-40-23-25-42-35(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-17,26H,18-25H2
InChIKeyNCLKMJITHLEVQT-UHFFFAOYSA-N
MW562.67 g/mol
LogP5.87
Rot. Bonds17

About 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile

4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile (PubChem CID 15860713) has the molecular formula C35H34N2O5 and a molecular weight of 562.67 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile
PubChem CID15860713
Molecular FormulaC35H34N2O5
Molecular Weight562.67 g/mol
Exact Mass562.25
IUPAC Name4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(OCCOCCOCCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N
InChIInChI=1S/C35H34N2O5/c36-27-29-16-17-34(26-30(29)28-37)41-24-22-39-20-18-38-19-21-40-23-25-42-35(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-17,26H,18-25H2
InChIKeyNCLKMJITHLEVQT-UHFFFAOYSA-N
XLogP5.87
TPSA93.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile (CID 15860713) is 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile is N#Cc1ccc(OCCOCCOCCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C#N.
What is the InChIKey of 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile?
The InChIKey is NCLKMJITHLEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O5/c36-27-29-16-17-34(26-30(29)28-37)41-24-22-39-20-18-38-19-21-40-23-25-42-35(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-17,26H,18-25H2.
What are the key properties of 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile?
4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile has a molecular weight of 562.67 g/mol, XLogP of 5.87, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 15860713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).