heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol

C175H174O9 — CID 159570808

About heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol

heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol (PubChem CID 159570808) has the molecular formula C175H174O9 and a molecular weight of 2421.31 g/mol. Its IUPAC name is heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol.

Molecular Properties

• Compound Name: heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
• PubChem CID: 159570808
• Molecular Formula: C175H174O9
• Molecular Weight: 2421.31 g/mol
• Exact Mass: 2419.32
• IUPAC Name: heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
• SMILES: CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/7C22H22O.C21H20O2/c7*1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h7*3-17H,2,18H2,1H3;1-15,22H,16-17H2
• InChIKey: MHUCOPXVUDJMOO-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 48
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2421.31
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol?

The IUPAC name of heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol (CID 159570808) is heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol.

What is the SMILES notation for heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol?

The canonical SMILES for heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol is CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol?

The InChIKey is MHUCOPXVUDJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/7C22H22O.C21H20O2/c7*1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h7*3-17H,2,18H2,1H3;1-15,22H,16-17H2.

What are the key properties of heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol?

heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol has a molecular weight of 2421.31 g/mol, XLogP of 41.82, 48 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol is sourced from PubChem (CID 159570808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).