8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C19H16B- — CID 20654780

IUPAC8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESC[B-]1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16B/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3/q-1
InChIKeyLHBUYTUUQKEHIQ-UHFFFAOYSA-N
MW255.15 g/mol
LogP2.77
Rot. Bonds1

About 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 20654780) has the molecular formula C19H16B- and a molecular weight of 255.15 g/mol. Its IUPAC name is 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID20654780
Molecular FormulaC19H16B-
Molecular Weight255.15 g/mol
Exact Mass255.14
IUPAC Name8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESC[B-]1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16B/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3/q-1
InChIKeyLHBUYTUUQKEHIQ-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 20654780) is 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is C[B-]1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is LHBUYTUUQKEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16B/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3/q-1.
What are the key properties of 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 255.15 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-phenyl-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 20654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).