3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione

C24H10N6O2 — CID 20762343

IUPAC3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
SMILESO=c1c2ccc3c4c(ccc(c24)c2nc4ncccc4n12)c(=O)n1c2cccnc2nc31
InChIInChI=1S/C24H10N6O2/c31-23-13-7-6-12-18-14(24(32)30-16-4-2-10-26-20(16)28-22(12)30)8-5-11(17(13)18)21-27-19-15(29(21)23)3-1-9-25-19/h1-10H
InChIKeyNKLUYQYGBORREY-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.13
Rot. Bonds

About 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione

3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione (PubChem CID 20762343) has the molecular formula C24H10N6O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione.

Molecular Properties

Compound Name3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
PubChem CID20762343
Molecular FormulaC24H10N6O2
Molecular Weight414.38 g/mol
Exact Mass414.09
IUPAC Name3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
SMILESO=c1c2ccc3c4c(ccc(c24)c2nc4ncccc4n12)c(=O)n1c2cccnc2nc31
InChIInChI=1S/C24H10N6O2/c31-23-13-7-6-12-18-14(24(32)30-16-4-2-10-26-20(16)28-22(12)30)8-5-11(17(13)18)21-27-19-15(29(21)23)3-1-9-25-19/h1-10H
InChIKeyNKLUYQYGBORREY-UHFFFAOYSA-N
XLogP3.13
TPSA94.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The IUPAC name of 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione (CID 20762343) is 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione.
What is the SMILES notation for 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The canonical SMILES for 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione is O=c1c2ccc3c4c(ccc(c24)c2nc4ncccc4n12)c(=O)n1c2cccnc2nc31.
What is the InChIKey of 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The InChIKey is NKLUYQYGBORREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N6O2/c31-23-13-7-6-12-18-14(24(32)30-16-4-2-10-26-20(16)28-22(12)30)8-5-11(17(13)18)21-27-19-15(29(21)23)3-1-9-25-19/h1-10H.
What are the key properties of 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione has a molecular weight of 414.38 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,10,17,19,24-hexazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione is sourced from PubChem (CID 20762343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).