2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate

C66H80N6O15 — CID 22664367

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate
SMILESCOc1ccc(C(C)(C)c2cc(CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCc3cc(-n4nc5ccccc5n4)c(O)c(C(C)(C)c4ccc(OC)cc4)c3)cc(-n3nc4ccccc4n3)c2O)cc1
InChIInChI=1S/C66H80N6O15/c1-65(2,49-17-21-51(77-5)22-18-49)53-43-47(45-59(63(53)75)71-67-55-11-7-8-12-56(55)68-71)15-25-61(73)86-41-39-84-37-35-82-33-31-80-29-27-79-28-30-81-32-34-83-36-38-85-40-42-87-62(74)26-16-48-44-54(66(3,4)50-19-23-52(78-6)24-20-50)64(76)60(46-48)72-69-57-13-9-10-14-58(57)70-72/h7-14,17-24,43-46,75-76H,15-16,25-42H2,1-6H3
InChIKeyZJDQYAGBMFRTDK-UHFFFAOYSA-N
MW1197.39 g/mol
LogP9.00
Rot. Bonds38

About 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate

2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate (PubChem CID 22664367) has the molecular formula C66H80N6O15 and a molecular weight of 1197.39 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate
PubChem CID22664367
Molecular FormulaC66H80N6O15
Molecular Weight1197.39 g/mol
Exact Mass1196.57
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate
SMILESCOc1ccc(C(C)(C)c2cc(CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCc3cc(-n4nc5ccccc5n4)c(O)c(C(C)(C)c4ccc(OC)cc4)c3)cc(-n3nc4ccccc4n3)c2O)cc1
InChIInChI=1S/C66H80N6O15/c1-65(2,49-17-21-51(77-5)22-18-49)53-43-47(45-59(63(53)75)71-67-55-11-7-8-12-56(55)68-71)15-25-61(73)86-41-39-84-37-35-82-33-31-80-29-27-79-28-30-81-32-34-83-36-38-85-40-42-87-62(74)26-16-48-44-54(66(3,4)50-19-23-52(78-6)24-20-50)64(76)60(46-48)72-69-57-13-9-10-14-58(57)70-72/h7-14,17-24,43-46,75-76H,15-16,25-42H2,1-6H3
InChIKeyZJDQYAGBMFRTDK-UHFFFAOYSA-N
XLogP9.00
TPSA237.55 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.39
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate (CID 22664367) is 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate is COc1ccc(C(C)(C)c2cc(CCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCc3cc(-n4nc5ccccc5n4)c(O)c(C(C)(C)c4ccc(OC)cc4)c3)cc(-n3nc4ccccc4n3)c2O)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate?
The InChIKey is ZJDQYAGBMFRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H80N6O15/c1-65(2,49-17-21-51(77-5)22-18-49)53-43-47(45-59(63(53)75)71-67-55-11-7-8-12-56(55)68-71)15-25-61(73)86-41-39-84-37-35-82-33-31-80-29-27-79-28-30-81-32-34-83-36-38-85-40-42-87-62(74)26-16-48-44-54(66(3,4)50-19-23-52(78-6)24-20-50)64(76)60(46-48)72-69-57-13-9-10-14-58(57)70-72/h7-14,17-24,43-46,75-76H,15-16,25-42H2,1-6H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate?
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate has a molecular weight of 1197.39 g/mol, XLogP of 9.00, 38 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]propanoate is sourced from PubChem (CID 22664367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).