1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole

C57H56N6O8 — CID 164620830

IUPAC1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole
SMILESc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@@H](OCc3cn(CCOc4ccc5ccccc5c4)nn3)O[C@H](COCc3cn(CCOc4ccc5ccccc5c4)nn3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C57H56N6O8/c1-4-14-42(15-5-1)36-67-54-53(41-64-39-49-34-62(60-58-49)28-30-65-51-26-24-45-20-10-12-22-47(45)32-51)71-57(56(69-38-44-18-8-3-9-19-44)55(54)68-37-43-16-6-2-7-17-43)70-40-50-35-63(61-59-50)29-31-66-52-27-25-46-21-11-13-23-48(46)33-52/h1-27,32-35,53-57H,28-31,36-41H2/t53-,54-,55+,56-,57+/m1/s1
InChIKeyYGBODWKYDUGKQP-BVXVQZQTSA-N
MW953.11 g/mol
LogP9.55
Rot. Bonds24

About 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole

1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole (PubChem CID 164620830) has the molecular formula C57H56N6O8 and a molecular weight of 953.11 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole.

Molecular Properties

Compound Name1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole
PubChem CID164620830
Molecular FormulaC57H56N6O8
Molecular Weight953.11 g/mol
Exact Mass952.42
IUPAC Name1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole
SMILESc1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@@H](OCc3cn(CCOc4ccc5ccccc5c4)nn3)O[C@H](COCc3cn(CCOc4ccc5ccccc5c4)nn3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C57H56N6O8/c1-4-14-42(15-5-1)36-67-54-53(41-64-39-49-34-62(60-58-49)28-30-65-51-26-24-45-20-10-12-22-47(45)32-51)71-57(56(69-38-44-18-8-3-9-19-44)55(54)68-37-43-16-6-2-7-17-43)70-40-50-35-63(61-59-50)29-31-66-52-27-25-46-21-11-13-23-48(46)33-52/h1-27,32-35,53-57H,28-31,36-41H2/t53-,54-,55+,56-,57+/m1/s1
InChIKeyYGBODWKYDUGKQP-BVXVQZQTSA-N
XLogP9.55
TPSA135.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.11
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole with MolForge

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Related Compounds

1-(2-phenylethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-phenylethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole
CID 164620620
(3-methoxyphenyl)methyl 2-[4-[[(2R,3R,4S,5R,6S)-6-[[1-[2-[(3-methoxyphenyl)methoxy]-2-oxoethyl]triazol-4-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxymethyl]triazol-1-yl]acetate
CID 164617192
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2S)-3-(4-hydroxyphenyl)-2-[4-[[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]propanoic acid
CID 53321875
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
3-[(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropanal
CID 171563753
1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 56838399
(3S,4R,5R)-2-(2-phenylethoxy)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102030658

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole?
The IUPAC name of 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole (CID 164620830) is 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole.
What is the SMILES notation for 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole?
The canonical SMILES for 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole is c1ccc(CO[C@@H]2[C@@H](OCc3ccccc3)[C@@H](OCc3cn(CCOc4ccc5ccccc5c4)nn3)O[C@H](COCc3cn(CCOc4ccc5ccccc5c4)nn3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole?
The InChIKey is YGBODWKYDUGKQP-BVXVQZQTSA-N. The full InChI is InChI=1S/C57H56N6O8/c1-4-14-42(15-5-1)36-67-54-53(41-64-39-49-34-62(60-58-49)28-30-65-51-26-24-45-20-10-12-22-47(45)32-51)71-57(56(69-38-44-18-8-3-9-19-44)55(54)68-37-43-16-6-2-7-17-43)70-40-50-35-63(61-59-50)29-31-66-52-27-25-46-21-11-13-23-48(46)33-52/h1-27,32-35,53-57H,28-31,36-41H2/t53-,54-,55+,56-,57+/m1/s1.
What are the key properties of 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole?
1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole has a molecular weight of 953.11 g/mol, XLogP of 9.55, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole is sourced from PubChem (CID 164620830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).