16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C16H10BrN — CID 145313490

IUPAC16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESBrc1ccc2cccc3c2c1-c1ccccc1N3
InChIInChI=1S/C16H10BrN/c17-12-9-8-10-4-3-7-14-15(10)16(12)11-5-1-2-6-13(11)18-14/h1-9,18H
InChIKeyMINNPCPATJNJHN-UHFFFAOYSA-N
MW296.17 g/mol
LogP5.33
Rot. Bonds

About 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 145313490) has the molecular formula C16H10BrN and a molecular weight of 296.17 g/mol. Its IUPAC name is 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID145313490
Molecular FormulaC16H10BrN
Molecular Weight296.17 g/mol
Exact Mass295.00
IUPAC Name16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESBrc1ccc2cccc3c2c1-c1ccccc1N3
InChIInChI=1S/C16H10BrN/c17-12-9-8-10-4-3-7-14-15(10)16(12)11-5-1-2-6-13(11)18-14/h1-9,18H
InChIKeyMINNPCPATJNJHN-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.17
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

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CID 145313415
1-bromo-7,8,9,10-tetraphenylfluoranthene
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CID 91603904
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CID 176647066
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CID 142720444
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
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CID 139178070
2-(2-bromonaphthalen-1-yl)phenol
CID 122642120
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Frequently Asked Questions

What is the IUPAC name of 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 145313490) is 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is Brc1ccc2cccc3c2c1-c1ccccc1N3.
What is the InChIKey of 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is MINNPCPATJNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN/c17-12-9-8-10-4-3-7-14-15(10)16(12)11-5-1-2-6-13(11)18-14/h1-9,18H.
What are the key properties of 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 296.17 g/mol, XLogP of 5.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 145313490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).