2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane

C70H60O5 — CID 20606657

IUPAC2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(C2OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC2c2ccccc2)cc1
InChIInChI=1S/C70H60O5/c1-11-31-51(32-12-1)61-62(52-33-13-2-14-34-52)72-65(55-39-19-5-20-40-55)66(56-41-21-6-22-42-56)74-69(59-47-27-9-28-48-59)70(60-49-29-10-30-50-60)75-68(58-45-25-8-26-46-58)67(57-43-23-7-24-44-57)73-64(54-37-17-4-18-38-54)63(71-61)53-35-15-3-16-36-53/h1-50,61-70H
InChIKeyVZKYQACHUJJDSR-UHFFFAOYSA-N
MW981.25 g/mol
LogP17.50
Rot. Bonds10

About 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane

2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 20606657) has the molecular formula C70H60O5 and a molecular weight of 981.25 g/mol. Its IUPAC name is 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID20606657
Molecular FormulaC70H60O5
Molecular Weight981.25 g/mol
Exact Mass980.44
IUPAC Name2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(C2OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC2c2ccccc2)cc1
InChIInChI=1S/C70H60O5/c1-11-31-51(32-12-1)61-62(52-33-13-2-14-34-52)72-65(55-39-19-5-20-40-55)66(56-41-21-6-22-42-56)74-69(59-47-27-9-28-48-59)70(60-49-29-10-30-50-60)75-68(58-45-25-8-26-46-58)67(57-43-23-7-24-44-57)73-64(54-37-17-4-18-38-54)63(71-61)53-35-15-3-16-36-53/h1-50,61-70H
InChIKeyVZKYQACHUJJDSR-UHFFFAOYSA-N
XLogP17.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.25
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 20606657) is 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane is c1ccc(C2OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC(c3ccccc3)C(c3ccccc3)OC2c2ccccc2)cc1.
What is the InChIKey of 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is VZKYQACHUJJDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H60O5/c1-11-31-51(32-12-1)61-62(52-33-13-2-14-34-52)72-65(55-39-19-5-20-40-55)66(56-41-21-6-22-42-56)74-69(59-47-27-9-28-48-59)70(60-49-29-10-30-50-60)75-68(58-45-25-8-26-46-58)67(57-43-23-7-24-44-57)73-64(54-37-17-4-18-38-54)63(71-61)53-35-15-3-16-36-53/h1-50,61-70H.
What are the key properties of 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane?
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 981.25 g/mol, XLogP of 17.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 20606657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).