(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene

C23H22N4O2 — CID 173008582

IUPAC(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene
SMILESC1=C/C=C\C=C/C=C\C=N\N=N\NOOc2ccccc2/C=C\C=C/C=C\C=C1
InChIInChI=1S/C23H22N4O2/c1-2-4-6-8-10-12-14-18-22-19-15-16-20-23(22)28-29-27-26-25-24-21-17-13-11-9-7-5-3-1/h1-21H,(H,25,27)/b3-1?,4-2?,7-5-,8-6-,11-9-,12-10-,17-13-,18-14-,24-21+
InChIKeyVYYCHJNKOFXCQH-UDNSCQIKSA-N
MW386.46 g/mol
LogP5.77
Rot. Bonds

About (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene

(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene (PubChem CID 173008582) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene
PubChem CID173008582
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene
SMILESC1=C/C=C\C=C/C=C\C=N\N=N\NOOc2ccccc2/C=C\C=C/C=C\C=C1
InChIInChI=1S/C23H22N4O2/c1-2-4-6-8-10-12-14-18-22-19-15-16-20-23(22)28-29-27-26-25-24-21-17-13-11-9-7-5-3-1/h1-21H,(H,25,27)/b3-1?,4-2?,7-5-,8-6-,11-9-,12-10-,17-13-,18-14-,24-21+
InChIKeyVYYCHJNKOFXCQH-UDNSCQIKSA-N
XLogP5.77
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene?
The IUPAC name of (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene (CID 173008582) is (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene?
The canonical SMILES for (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene is C1=C/C=C\C=C/C=C\C=N\N=N\NOOc2ccccc2/C=C\C=C/C=C\C=C1.
What is the InChIKey of (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene?
The InChIKey is VYYCHJNKOFXCQH-UDNSCQIKSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-4-6-8-10-12-14-18-22-19-15-16-20-23(22)28-29-27-26-25-24-21-17-13-11-9-7-5-3-1/h1-21H,(H,25,27)/b3-1?,4-2?,7-5-,8-6-,11-9-,12-10-,17-13-,18-14-,24-21+.
What are the key properties of (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene?
(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene has a molecular weight of 386.46 g/mol, XLogP of 5.77, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 173008582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).