17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C17H16BN — CID 50916808

IUPAC17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC[B-]1(C)c2cc3ccccc3cc2-c2cccc[n+]21
InChIInChI=1S/C17H16BN/c1-18(2)16-12-14-8-4-3-7-13(14)11-15(16)17-9-5-6-10-19(17)18/h3-12H,1-2H3
InChIKeyAJVKEDZRHYJSGA-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.07
Rot. Bonds

About 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 50916808) has the molecular formula C17H16BN and a molecular weight of 245.13 g/mol. Its IUPAC name is 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID50916808
Molecular FormulaC17H16BN
Molecular Weight245.13 g/mol
Exact Mass245.14
IUPAC Name17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC[B-]1(C)c2cc3ccccc3cc2-c2cccc[n+]21
InChIInChI=1S/C17H16BN/c1-18(2)16-12-14-8-4-3-7-13(14)11-15(16)17-9-5-6-10-19(17)18/h3-12H,1-2H3
InChIKeyAJVKEDZRHYJSGA-UHFFFAOYSA-N
XLogP3.07
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

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CID 139172658
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Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 50916808) is 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is C[B-]1(C)c2cc3ccccc3cc2-c2cccc[n+]21.
What is the InChIKey of 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is AJVKEDZRHYJSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BN/c1-18(2)16-12-14-8-4-3-7-13(14)11-15(16)17-9-5-6-10-19(17)18/h3-12H,1-2H3.
What are the key properties of 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 245.13 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 50916808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).