5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone

C26H26N2O4 — CID 54145703

IUPAC5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
SMILESC=CCCCCn1c(=O)c2ccc(c1=O)c1c3ccc(c(=O)n(CCCCC=C)c3=O)c21
InChIInChI=1S/C26H26N2O4/c1-3-5-7-9-15-27-23(29)17-11-12-18(24(27)30)22-20-14-13-19(21(17)22)25(31)28(26(20)32)16-10-8-6-4-2/h3-4,11-14H,1-2,5-10,15-16H2
InChIKeyOEFMZEGMLLUQQD-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.78
Rot. Bonds10

About 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone

5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone (PubChem CID 54145703) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone.

Molecular Properties

Compound Name5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
PubChem CID54145703
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
SMILESC=CCCCCn1c(=O)c2ccc(c1=O)c1c3ccc(c(=O)n(CCCCC=C)c3=O)c21
InChIInChI=1S/C26H26N2O4/c1-3-5-7-9-15-27-23(29)17-11-12-18(24(27)30)22-20-14-13-19(21(17)22)25(31)28(26(20)32)16-10-8-6-4-2/h3-4,11-14H,1-2,5-10,15-16H2
InChIKeyOEFMZEGMLLUQQD-UHFFFAOYSA-N
XLogP3.78
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The IUPAC name of 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone (CID 54145703) is 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone.
What is the SMILES notation for 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The canonical SMILES for 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone is C=CCCCCn1c(=O)c2ccc(c1=O)c1c3ccc(c(=O)n(CCCCC=C)c3=O)c21.
What is the InChIKey of 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The InChIKey is OEFMZEGMLLUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-3-5-7-9-15-27-23(29)17-11-12-18(24(27)30)22-20-14-13-19(21(17)22)25(31)28(26(20)32)16-10-8-6-4-2/h3-4,11-14H,1-2,5-10,15-16H2.
What are the key properties of 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone has a molecular weight of 430.50 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone is sourced from PubChem (CID 54145703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).