benzene;bis(pyridine);trimethylborane

C19H25BN2 — CID 91370331

IUPACbenzene;bis(pyridine);trimethylborane
SMILESCB(C)C.c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H6.2C5H5N.C3H9B/c3*1-2-4-6-5-3-1;1-4(2)3/h1-6H;2*1-5H;1-3H3
InChIKeyNSAKCDWIWYSPTK-UHFFFAOYSA-N
MW292.24 g/mol
LogP5.22
Rot. Bonds

About benzene;bis(pyridine);trimethylborane

benzene;bis(pyridine);trimethylborane (PubChem CID 91370331) has the molecular formula C19H25BN2 and a molecular weight of 292.24 g/mol. Its IUPAC name is benzene;bis(pyridine);trimethylborane.

Molecular Properties

Compound Namebenzene;bis(pyridine);trimethylborane
PubChem CID91370331
Molecular FormulaC19H25BN2
Molecular Weight292.24 g/mol
Exact Mass292.21
IUPAC Namebenzene;bis(pyridine);trimethylborane
SMILESCB(C)C.c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H6.2C5H5N.C3H9B/c3*1-2-4-6-5-3-1;1-4(2)3/h1-6H;2*1-5H;1-3H3
InChIKeyNSAKCDWIWYSPTK-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
ethane;methane;pyridine
CID 159650211
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
cadmium(2+);pyridine;chloride
CID 21144711
pyrazine;bis(pyridine)
CID 159366306
iridium(3+);tris(pyridine)
CID 22020171
chromium;bis(pyridine)
CID 14201778
bis(pyridine);hydrochloride
CID 68793121
CID 70045472
CID 70045472

Frequently Asked Questions

What is the IUPAC name of benzene;bis(pyridine);trimethylborane?
The IUPAC name of benzene;bis(pyridine);trimethylborane (CID 91370331) is benzene;bis(pyridine);trimethylborane.
What is the SMILES notation for benzene;bis(pyridine);trimethylborane?
The canonical SMILES for benzene;bis(pyridine);trimethylborane is CB(C)C.c1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzene;bis(pyridine);trimethylborane?
The InChIKey is NSAKCDWIWYSPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C5H5N.C3H9B/c3*1-2-4-6-5-3-1;1-4(2)3/h1-6H;2*1-5H;1-3H3.
What are the key properties of benzene;bis(pyridine);trimethylborane?
benzene;bis(pyridine);trimethylborane has a molecular weight of 292.24 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(pyridine);trimethylborane is sourced from PubChem (CID 91370331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).