9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C15H9BrN2 — CID 135379645

IUPAC9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESBrc1ccc2c3ccccc3n3cccc3c2n1
InChIInChI=1S/C15H9BrN2/c16-14-8-7-11-10-4-1-2-5-12(10)18-9-3-6-13(18)15(11)17-14/h1-9H
InChIKeyCKXKCIBRZFLOPD-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.40
Rot. Bonds

About 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 135379645) has the molecular formula C15H9BrN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

Compound Name9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
PubChem CID135379645
Molecular FormulaC15H9BrN2
Molecular Weight297.16 g/mol
Exact Mass295.99
IUPAC Name9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESBrc1ccc2c3ccccc3n3cccc3c2n1
InChIInChI=1S/C15H9BrN2/c16-14-8-7-11-10-4-1-2-5-12(10)18-9-3-6-13(18)15(11)17-14/h1-9H
InChIKeyCKXKCIBRZFLOPD-UHFFFAOYSA-N
XLogP4.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-ylphenanthro[9,10-e][1,2,4]triazine
CID 137491098
6,13-diazahexacyclo[11.10.1.02,6.07,12.014,19.020,24]tetracosa-1(23),2,4,7,9,11,14,16,18,20(24),21-undecaene
CID 121385973
pyrido[1,2-a]indol-10-amine
CID 96627935
8-bromo-5-chloropyrrolo[1,2-c]quinazoline
CID 172603444
bis(9-bromo-2,8-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene);2-bromo-6-(1H-pyrrol-2-yl)pyridine;2,3-dibromonaphthalene;9-pyridin-2-ylcarbazol-2-ol;9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,8-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7(12),8,10,13,15,17,19-decaene
CID 160942136
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,8,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949626
5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
CID 71484660
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 159941213
24-azahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 158281474
10-methoxy-2,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949513
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
CID 28798022

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The IUPAC name of 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 135379645) is 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.
What is the SMILES notation for 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The canonical SMILES for 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is Brc1ccc2c3ccccc3n3cccc3c2n1.
What is the InChIKey of 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The InChIKey is CKXKCIBRZFLOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2/c16-14-8-7-11-10-4-1-2-5-12(10)18-9-3-6-13(18)15(11)17-14/h1-9H.
What are the key properties of 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 297.16 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,8-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 135379645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).