N-diphenylboranylaniline

C18H16BN — CID 11039901

IUPACN-diphenylboranylaniline
SMILESc1ccc(NB(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16BN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-15,20H
InChIKeyLQSNWVKMQYRLBL-UHFFFAOYSA-N
MW257.15 g/mol
LogP2.90
Rot. Bonds4

About N-diphenylboranylaniline

N-diphenylboranylaniline (PubChem CID 11039901) has the molecular formula C18H16BN and a molecular weight of 257.15 g/mol. Its IUPAC name is N-diphenylboranylaniline.

Molecular Properties

Compound NameN-diphenylboranylaniline
PubChem CID11039901
Molecular FormulaC18H16BN
Molecular Weight257.15 g/mol
Exact Mass257.14
IUPAC NameN-diphenylboranylaniline
SMILESc1ccc(NB(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16BN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-15,20H
InChIKeyLQSNWVKMQYRLBL-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-diphenylboranylaniline?
The IUPAC name of N-diphenylboranylaniline (CID 11039901) is N-diphenylboranylaniline.
What is the SMILES notation for N-diphenylboranylaniline?
The canonical SMILES for N-diphenylboranylaniline is c1ccc(NB(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylboranylaniline?
The InChIKey is LQSNWVKMQYRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-15,20H.
What are the key properties of N-diphenylboranylaniline?
N-diphenylboranylaniline has a molecular weight of 257.15 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylboranylaniline is sourced from PubChem (CID 11039901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).