17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione

C27H26N4O5 — CID 10206423

IUPAC17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2cccnc21
InChIInChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)
InChIKeySYLBCDWZFLYHIX-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.62
Rot. Bonds

About 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione

17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione (PubChem CID 10206423) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione.

Molecular Properties

Compound Name17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione
PubChem CID10206423
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione
SMILESO=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2cccnc21
InChIInChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)
InChIKeySYLBCDWZFLYHIX-UHFFFAOYSA-N
XLogP2.62
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione?
The IUPAC name of 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione (CID 10206423) is 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione.
What is the SMILES notation for 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione?
The canonical SMILES for 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione is O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2cccnc21.
What is the InChIKey of 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione?
The InChIKey is SYLBCDWZFLYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33).
What are the key properties of 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione?
17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione has a molecular weight of 486.53 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20,23-trioxa-4,12,14,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27,29,31-nonaene-3,5-dione is sourced from PubChem (CID 10206423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).