triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium

C46H60NO6+ — CID 126699689

IUPACtriethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1cc(-c2c3ccc(C)cc3c(-c3ccc(OCCOCCOC)c(C)c3)c3ccc(C)cc23)ccc1OCCOCCOC
InChIInChI=1S/C46H60NO6/c1-9-47(10-2,11-3)32-38-31-37(15-19-44(38)53-27-25-51-23-21-49-8)46-40-17-13-33(4)28-41(40)45(39-16-12-34(5)29-42(39)46)36-14-18-43(35(6)30-36)52-26-24-50-22-20-48-7/h12-19,28-31H,9-11,20-27,32H2,1-8H3/q+1
InChIKeyXNPOSKGBHQKNJZ-UHFFFAOYSA-N
MW722.99 g/mol
LogP9.71
Rot. Bonds21

About triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium

triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium (PubChem CID 126699689) has the molecular formula C46H60NO6+ and a molecular weight of 722.99 g/mol. Its IUPAC name is triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium.

Molecular Properties

Compound Nametriethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium
PubChem CID126699689
Molecular FormulaC46H60NO6+
Molecular Weight722.99 g/mol
Exact Mass722.44
IUPAC Nametriethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium
SMILESCC[N+](CC)(CC)Cc1cc(-c2c3ccc(C)cc3c(-c3ccc(OCCOCCOC)c(C)c3)c3ccc(C)cc23)ccc1OCCOCCOC
InChIInChI=1S/C46H60NO6/c1-9-47(10-2,11-3)32-38-31-37(15-19-44(38)53-27-25-51-23-21-49-8)46-40-17-13-33(4)28-41(40)45(39-16-12-34(5)29-42(39)46)36-14-18-43(35(6)30-36)52-26-24-50-22-20-48-7/h12-19,28-31H,9-11,20-27,32H2,1-8H3/q+1
InChIKeyXNPOSKGBHQKNJZ-UHFFFAOYSA-N
XLogP9.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.99
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium?
The IUPAC name of triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium (CID 126699689) is triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium.
What is the SMILES notation for triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium?
The canonical SMILES for triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium is CC[N+](CC)(CC)Cc1cc(-c2c3ccc(C)cc3c(-c3ccc(OCCOCCOC)c(C)c3)c3ccc(C)cc23)ccc1OCCOCCOC.
What is the InChIKey of triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium?
The InChIKey is XNPOSKGBHQKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60NO6/c1-9-47(10-2,11-3)32-38-31-37(15-19-44(38)53-27-25-51-23-21-49-8)46-40-17-13-33(4)28-41(40)45(39-16-12-34(5)29-42(39)46)36-14-18-43(35(6)30-36)52-26-24-50-22-20-48-7/h12-19,28-31H,9-11,20-27,32H2,1-8H3/q+1.
What are the key properties of triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium?
triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium has a molecular weight of 722.99 g/mol, XLogP of 9.71, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[2-[2-(2-methoxyethoxy)ethoxy]-5-[10-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-2,6-dimethylanthracen-9-yl]phenyl]methyl]azanium is sourced from PubChem (CID 126699689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).