5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C19H11B — CID 141389981

IUPAC5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESB1=CC=c2ccc3cc4c5c(ccc4cc3c21)=CC=C5
InChIInChI=1S/C19H11B/c1-2-12-4-6-14-11-18-15(10-17(14)16(12)3-1)7-5-13-8-9-20-19(13)18/h1-11H
InChIKeyVLQLKVXFBMOGPR-UHFFFAOYSA-N
MW250.11 g/mol
LogP1.73
Rot. Bonds

About 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene

5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 141389981) has the molecular formula C19H11B and a molecular weight of 250.11 g/mol. Its IUPAC name is 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID141389981
Molecular FormulaC19H11B
Molecular Weight250.11 g/mol
Exact Mass250.10
IUPAC Name5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESB1=CC=c2ccc3cc4c5c(ccc4cc3c21)=CC=C5
InChIInChI=1S/C19H11B/c1-2-12-4-6-14-11-18-15(10-17(14)16(12)3-1)7-5-13-8-9-20-19(13)18/h1-11H
InChIKeyVLQLKVXFBMOGPR-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 141389981) is 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene is B1=CC=c2ccc3cc4c5c(ccc4cc3c21)=CC=C5.
What is the InChIKey of 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is VLQLKVXFBMOGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11B/c1-2-12-4-6-14-11-18-15(10-17(14)16(12)3-1)7-5-13-8-9-20-19(13)18/h1-11H.
What are the key properties of 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 250.11 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 141389981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).