18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C22H10Br2N2 — CID 59167620

IUPAC18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESBrc1cc2nc3c(nc2cc1Br)-c1c2ccccc2cc2cccc-3c12
InChIInChI=1S/C22H10Br2N2/c23-15-9-17-18(10-16(15)24)26-22-20-13-6-2-1-4-11(13)8-12-5-3-7-14(19(12)20)21(22)25-17/h1-10H
InChIKeyJPLHOQWHHTUGEG-UHFFFAOYSA-N
MW462.14 g/mol
LogP7.11
Rot. Bonds

About 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 59167620) has the molecular formula C22H10Br2N2 and a molecular weight of 462.14 g/mol. Its IUPAC name is 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID59167620
Molecular FormulaC22H10Br2N2
Molecular Weight462.14 g/mol
Exact Mass459.92
IUPAC Name18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESBrc1cc2nc3c(nc2cc1Br)-c1c2ccccc2cc2cccc-3c12
InChIInChI=1S/C22H10Br2N2/c23-15-9-17-18(10-16(15)24)26-22-20-13-6-2-1-4-11(13)8-12-5-3-7-14(19(12)20)21(22)25-17/h1-10H
InChIKeyJPLHOQWHHTUGEG-UHFFFAOYSA-N
XLogP7.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.14
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 59167620) is 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is Brc1cc2nc3c(nc2cc1Br)-c1c2ccccc2cc2cccc-3c12.
What is the InChIKey of 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is JPLHOQWHHTUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Br2N2/c23-15-9-17-18(10-16(15)24)26-22-20-13-6-2-1-4-11(13)8-12-5-3-7-14(19(12)20)21(22)25-17/h1-10H.
What are the key properties of 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 462.14 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18,19-dibromo-15,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 59167620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).