tribenzyl(cyano)boranuide

C22H21BN- — CID 134906552

IUPACtribenzyl(cyano)boranuide
SMILESN#C[B-](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21BN/c24-19-23(16-20-10-4-1-5-11-20,17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15H,16-18H2/q-1
InChIKeyGWMDIAGJRITGHF-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.84
Rot. Bonds6

About tribenzyl(cyano)boranuide

tribenzyl(cyano)boranuide (PubChem CID 134906552) has the molecular formula C22H21BN- and a molecular weight of 310.23 g/mol. Its IUPAC name is tribenzyl(cyano)boranuide.

Molecular Properties

Compound Nametribenzyl(cyano)boranuide
PubChem CID134906552
Molecular FormulaC22H21BN-
Molecular Weight310.23 g/mol
Exact Mass310.18
IUPAC Nametribenzyl(cyano)boranuide
SMILESN#C[B-](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21BN/c24-19-23(16-20-10-4-1-5-11-20,17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15H,16-18H2/q-1
InChIKeyGWMDIAGJRITGHF-UHFFFAOYSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 138984319
CID 138984319
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CID 139367010
3-phenyl-2-tritiopropanenitrile
CID 58498504
(E)-6-phenylhex-4-enenitrile
CID 14381063
2-hydrazinyl-3-(4-phenylphenyl)propanenitrile
CID 71190861
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of tribenzyl(cyano)boranuide?
The IUPAC name of tribenzyl(cyano)boranuide (CID 134906552) is tribenzyl(cyano)boranuide.
What is the SMILES notation for tribenzyl(cyano)boranuide?
The canonical SMILES for tribenzyl(cyano)boranuide is N#C[B-](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(cyano)boranuide?
The InChIKey is GWMDIAGJRITGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BN/c24-19-23(16-20-10-4-1-5-11-20,17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15H,16-18H2/q-1.
What are the key properties of tribenzyl(cyano)boranuide?
tribenzyl(cyano)boranuide has a molecular weight of 310.23 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(cyano)boranuide is sourced from PubChem (CID 134906552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).