4-methylbenzenediazonium;tetraphenylboranuide

C31H27BN2 — CID 10836747

IUPAC4-methylbenzenediazonium;tetraphenylboranuide
SMILESCc1ccc([N+]#N)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C7H7N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-6-2-4-7(9-8)5-3-6/h1-20H;2-5H,1H3/q-1;+1
InChIKeyRXWRSKJHYCGMNZ-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.54
Rot. Bonds4

About 4-methylbenzenediazonium;tetraphenylboranuide

4-methylbenzenediazonium;tetraphenylboranuide (PubChem CID 10836747) has the molecular formula C31H27BN2 and a molecular weight of 438.38 g/mol. Its IUPAC name is 4-methylbenzenediazonium;tetraphenylboranuide.

Molecular Properties

Compound Name4-methylbenzenediazonium;tetraphenylboranuide
PubChem CID10836747
Molecular FormulaC31H27BN2
Molecular Weight438.38 g/mol
Exact Mass438.23
IUPAC Name4-methylbenzenediazonium;tetraphenylboranuide
SMILESCc1ccc([N+]#N)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C7H7N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-6-2-4-7(9-8)5-3-6/h1-20H;2-5H,1H3/q-1;+1
InChIKeyRXWRSKJHYCGMNZ-UHFFFAOYSA-N
XLogP5.54
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-methylbenzenediazonium
CID 160516571
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
methanamine;tetraphenylboranuide
CID 175835863
benzenediazonium;sulfane
CID 172792880
benzenediazonium tetratetrafluoroborate
CID 19876590
dimethylphosphanium;tetraphenylboranuide
CID 174900648
tetrakis(4-methylbenzoyl)phosphanium;tetraphenylboranuide
CID 22058921
calcium;tetraphenylboranuide;iodide
CID 23136649
CID 174934257
CID 174934257
benzene;bis(1,4-xylene)
CID 159472747
ethane;methanediazonium;toluene
CID 90824438
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenediazonium;tetraphenylboranuide?
The IUPAC name of 4-methylbenzenediazonium;tetraphenylboranuide (CID 10836747) is 4-methylbenzenediazonium;tetraphenylboranuide.
What is the SMILES notation for 4-methylbenzenediazonium;tetraphenylboranuide?
The canonical SMILES for 4-methylbenzenediazonium;tetraphenylboranuide is Cc1ccc([N+]#N)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methylbenzenediazonium;tetraphenylboranuide?
The InChIKey is RXWRSKJHYCGMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C7H7N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-6-2-4-7(9-8)5-3-6/h1-20H;2-5H,1H3/q-1;+1.
What are the key properties of 4-methylbenzenediazonium;tetraphenylboranuide?
4-methylbenzenediazonium;tetraphenylboranuide has a molecular weight of 438.38 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenediazonium;tetraphenylboranuide is sourced from PubChem (CID 10836747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).