4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole

C82H156N3O22P — CID 130320317

IUPAC4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole
SMILESCCCCCCCCCCCCOc1cc(Cn2cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(OCC)OCC)nn2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C82H156N3O22P/c1-6-11-14-17-20-23-26-29-32-35-38-103-80-73-78(74-81(104-39-36-33-30-27-24-21-18-15-12-7-2)82(80)105-40-37-34-31-28-25-22-19-16-13-8-3)75-85-76-79(83-84-85)77-102-70-69-100-66-65-98-62-61-96-58-57-94-54-53-92-50-49-90-46-45-88-42-41-87-43-44-89-47-48-91-51-52-93-55-56-95-59-60-97-63-64-99-67-68-101-71-72-108(86,106-9-4)107-10-5/h73-74,76H,6-72,75,77H2,1-5H3
InChIKeyGRQICDLWGNLXCQ-UHFFFAOYSA-N
MW1567.12 g/mol
LogP16.26
Rot. Bonds92

About 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole

4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole (PubChem CID 130320317) has the molecular formula C82H156N3O22P and a molecular weight of 1567.12 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole
PubChem CID130320317
Molecular FormulaC82H156N3O22P
Molecular Weight1567.12 g/mol
Exact Mass1566.09
IUPAC Name4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole
SMILESCCCCCCCCCCCCOc1cc(Cn2cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(OCC)OCC)nn2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C82H156N3O22P/c1-6-11-14-17-20-23-26-29-32-35-38-103-80-73-78(74-81(104-39-36-33-30-27-24-21-18-15-12-7-2)82(80)105-40-37-34-31-28-25-22-19-16-13-8-3)75-85-76-79(83-84-85)77-102-70-69-100-66-65-98-62-61-96-58-57-94-54-53-92-50-49-90-46-45-88-42-41-87-43-44-89-47-48-91-51-52-93-55-56-95-59-60-97-63-64-99-67-68-101-71-72-108(86,106-9-4)107-10-5/h73-74,76H,6-72,75,77H2,1-5H3
InChIKeyGRQICDLWGNLXCQ-UHFFFAOYSA-N
XLogP16.26
TPSA241.61 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds92
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.12
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole with MolForge

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[[1-[(3,4,5-tridodecoxyphenyl)methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 176852092
5-ethyl-1,2,3-triheptoxybenzene
CID 66940139
N-[(E)-benzylideneamino]-2-[4-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]acetamide
CID 162478351
(3,4,5-trihexoxyphenyl)phosphonic acid
CID 177459721
3-[2-[2-[(1-benzyltriazol-4-yl)methoxy]ethoxy]ethoxy]-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenol
CID 135226571
1,4-bis(diethoxyphosphorylmethyl)-2,5-dioctadecoxybenzene
CID 102588000
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(1-pentyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138737681
(3,4,5-trioctadecoxyphenyl)methanamine
CID 86674041
3-methyl-1-[2-[2-[2-[(1-octyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 178080688
1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]-4-[[4-[4-[[1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazole
CID 101496236
2-[(3,4,5-tridodecoxyphenyl)methyl]-13-[[3,4,5-tris[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 132542894
4-[2,2-bis(diethoxyphosphoryl)ethyl]-1-[[4-[[4-[2,2-bis(diethoxyphosphoryl)ethyl]triazol-1-yl]methyl]phenyl]methyl]triazole
CID 16753512

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole?
The IUPAC name of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole (CID 130320317) is 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole.
What is the SMILES notation for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole?
The canonical SMILES for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole is CCCCCCCCCCCCOc1cc(Cn2cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(OCC)OCC)nn2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.
What is the InChIKey of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole?
The InChIKey is GRQICDLWGNLXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H156N3O22P/c1-6-11-14-17-20-23-26-29-32-35-38-103-80-73-78(74-81(104-39-36-33-30-27-24-21-18-15-12-7-2)82(80)105-40-37-34-31-28-25-22-19-16-13-8-3)75-85-76-79(83-84-85)77-102-70-69-100-66-65-98-62-61-96-58-57-94-54-53-92-50-49-90-46-45-88-42-41-87-43-44-89-47-48-91-51-52-93-55-56-95-59-60-97-63-64-99-67-68-101-71-72-108(86,106-9-4)107-10-5/h73-74,76H,6-72,75,77H2,1-5H3.
What are the key properties of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole?
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole has a molecular weight of 1567.12 g/mol, XLogP of 16.26, 92 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-[(3,4,5-tridodecoxyphenyl)methyl]triazole is sourced from PubChem (CID 130320317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).