1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne

C24H24N4 — CID 15204492

IUPAC1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne
SMILESC1#CCN2CC#CCN(C1)CC#CCN1CC#CCN(CC#CC1)CC#CC2
InChIInChI=1S/C24H24N4/c1-2-14-26-16-4-3-15-25(13-1)21-9-10-23-27-17-5-7-19-28(20-8-6-18-27)24-12-11-22-26/h13-24H2
InChIKeyIQVKFCLISOWCHK-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.74
Rot. Bonds

About 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne

1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne (PubChem CID 15204492) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne.

Molecular Properties

Compound Name1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne
PubChem CID15204492
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne
SMILESC1#CCN2CC#CCN(C1)CC#CCN1CC#CCN(CC#CC1)CC#CC2
InChIInChI=1S/C24H24N4/c1-2-14-26-16-4-3-15-25(13-1)21-9-10-23-27-17-5-7-19-28(20-8-6-18-27)24-12-11-22-26/h13-24H2
InChIKeyIQVKFCLISOWCHK-UHFFFAOYSA-N
XLogP-0.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne?
The IUPAC name of 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne (CID 15204492) is 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne.
What is the SMILES notation for 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne?
The canonical SMILES for 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne is C1#CCN2CC#CCN(C1)CC#CCN1CC#CCN(CC#CC1)CC#CC2.
What is the InChIKey of 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne?
The InChIKey is IQVKFCLISOWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-2-14-26-16-4-3-15-25(13-1)21-9-10-23-27-17-5-7-19-28(20-8-6-18-27)24-12-11-22-26/h13-24H2.
What are the key properties of 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne?
1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne has a molecular weight of 368.48 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,11,16-tetrazatricyclo[14.4.4.46,11]octacosa-3,8,13,18,22,26-hexayne is sourced from PubChem (CID 15204492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).