17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione

C32H35N3O7 — CID 10144680

IUPAC17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C32H35N3O7/c36-31-29-25-21-34(27-7-3-1-5-23(25)27)9-11-38-13-15-40-17-19-42-20-18-41-16-14-39-12-10-35-22-26(30(29)32(37)33-31)24-6-2-4-8-28(24)35/h1-8,21-22H,9-20H2,(H,33,36,37)
InChIKeyQLNNQGZYMRYENG-UHFFFAOYSA-N
MW573.65 g/mol
LogP3.26
Rot. Bonds

About 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione

17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione (PubChem CID 10144680) has the molecular formula C32H35N3O7 and a molecular weight of 573.65 g/mol. Its IUPAC name is 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione.

Molecular Properties

Compound Name17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione
PubChem CID10144680
Molecular FormulaC32H35N3O7
Molecular Weight573.65 g/mol
Exact Mass573.25
IUPAC Name17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C32H35N3O7/c36-31-29-25-21-34(27-7-3-1-5-23(25)27)9-11-38-13-15-40-17-19-42-20-18-41-16-14-39-12-10-35-22-26(30(29)32(37)33-31)24-6-2-4-8-28(24)35/h1-8,21-22H,9-20H2,(H,33,36,37)
InChIKeyQLNNQGZYMRYENG-UHFFFAOYSA-N
XLogP3.26
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione?
The IUPAC name of 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione (CID 10144680) is 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione.
What is the SMILES notation for 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione?
The canonical SMILES for 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione is O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCOCCOCCn1cc2c2ccccc21.
What is the InChIKey of 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione?
The InChIKey is QLNNQGZYMRYENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O7/c36-31-29-25-21-34(27-7-3-1-5-23(25)27)9-11-38-13-15-40-17-19-42-20-18-41-16-14-39-12-10-35-22-26(30(29)32(37)33-31)24-6-2-4-8-28(24)35/h1-8,21-22H,9-20H2,(H,33,36,37).
What are the key properties of 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione?
17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione has a molecular weight of 573.65 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20,23,26,29-pentaoxa-4,14,32-triazahexacyclo[30.6.1.17,14.02,6.08,13.033,38]tetraconta-1(39),2(6),7(40),8,10,12,33,35,37-nonaene-3,5-dione is sourced from PubChem (CID 10144680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).