8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C15H9BrN2 — CID 134348755

IUPAC8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESBrc1cc2[nH]c3ncccc3c2c2ccccc12
InChIInChI=1S/C15H9BrN2/c16-12-8-13-14(10-5-2-1-4-9(10)12)11-6-3-7-17-15(11)18-13/h1-8H,(H,17,18)
InChIKeyOXHWKHLOHBHIBU-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.63
Rot. Bonds

About 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 134348755) has the molecular formula C15H9BrN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID134348755
Molecular FormulaC15H9BrN2
Molecular Weight297.16 g/mol
Exact Mass295.99
IUPAC Name8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESBrc1cc2[nH]c3ncccc3c2c2ccccc12
InChIInChI=1S/C15H9BrN2/c16-12-8-13-14(10-5-2-1-4-9(10)12)11-6-3-7-17-15(11)18-13/h1-8H,(H,17,18)
InChIKeyOXHWKHLOHBHIBU-UHFFFAOYSA-N
XLogP4.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene with MolForge

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Related Compounds

methyl 2-(11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)benzoate
CID 134361330
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
9H-pyrido[2,3-b]indol-7-ol
CID 67086557
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
5,8-difluoro-9H-pyrido[2,3-b]indole
CID 42611843
5-phenyl-3,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),4,7,11(16),12,14-heptaene
CID 144569314
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503
3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91100432
4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene
CID 144569350
3-(9H-pyrido[2,3-b]indol-7-yl)-5H-pyrido[4,3-b]indole
CID 130353330
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381

Frequently Asked Questions

What is the IUPAC name of 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 134348755) is 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is Brc1cc2[nH]c3ncccc3c2c2ccccc12.
What is the InChIKey of 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is OXHWKHLOHBHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2/c16-12-8-13-14(10-5-2-1-4-9(10)12)11-6-3-7-17-15(11)18-13/h1-8H,(H,17,18).
What are the key properties of 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 297.16 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 134348755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).