13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane

C32H48N2O8 — CID 102533214

IUPAC13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESc1cc(N2CCOCCOCCOCCOCC2)ccc1-c1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C32H48N2O8/c1-5-31(33-9-13-35-17-21-39-25-26-40-22-18-36-14-10-33)6-2-29(1)30-3-7-32(8-4-30)34-11-15-37-19-23-41-27-28-42-24-20-38-16-12-34/h1-8H,9-28H2
InChIKeyCPPVALOYYVRKSN-UHFFFAOYSA-N
MW588.74 g/mol
LogP3.13
Rot. Bonds3

About 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 102533214) has the molecular formula C32H48N2O8 and a molecular weight of 588.74 g/mol. Its IUPAC name is 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID102533214
Molecular FormulaC32H48N2O8
Molecular Weight588.74 g/mol
Exact Mass588.34
IUPAC Name13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESc1cc(N2CCOCCOCCOCCOCC2)ccc1-c1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C32H48N2O8/c1-5-31(33-9-13-35-17-21-39-25-26-40-22-18-36-14-10-33)6-2-29(1)30-3-7-32(8-4-30)34-11-15-37-19-23-41-27-28-42-24-20-38-16-12-34/h1-8H,9-28H2
InChIKeyCPPVALOYYVRKSN-UHFFFAOYSA-N
XLogP3.13
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.74
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane with MolForge

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Related Compounds

(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
CID 46173579
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
4-(4-prop-2-enylphenyl)morpholine
CID 70631563

Frequently Asked Questions

What is the IUPAC name of 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 102533214) is 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane is c1cc(N2CCOCCOCCOCCOCC2)ccc1-c1ccc(N2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is CPPVALOYYVRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O8/c1-5-31(33-9-13-35-17-21-39-25-26-40-22-18-36-14-10-33)6-2-29(1)30-3-7-32(8-4-30)34-11-15-37-19-23-41-27-28-42-24-20-38-16-12-34/h1-8H,9-28H2.
What are the key properties of 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 588.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 102533214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).