dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide

C56H44BP — CID 139757718

IUPACdinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H24P.C24H20B/c1-3-17-27(18-4-1)33(28-19-5-2-6-20-28,31-23-11-15-25-13-7-9-21-29(25)31)32-24-12-16-26-14-8-10-22-30(26)32;1-5-13-21(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/h1-24H;1-20H/q+1;-1
InChIKeyHNNHTEPJFXBGPJ-UHFFFAOYSA-N
MW758.75 g/mol
LogP9.68
Rot. Bonds8

About dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide

dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide (PubChem CID 139757718) has the molecular formula C56H44BP and a molecular weight of 758.75 g/mol. Its IUPAC name is dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide.

Molecular Properties

Compound Namedinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide
PubChem CID139757718
Molecular FormulaC56H44BP
Molecular Weight758.75 g/mol
Exact Mass758.33
IUPAC Namedinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H24P.C24H20B/c1-3-17-27(18-4-1)33(28-19-5-2-6-20-28,31-23-11-15-25-13-7-9-21-29(25)31)32-24-12-16-26-14-8-10-22-30(26)32;1-5-13-21(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/h1-24H;1-20H/q+1;-1
InChIKeyHNNHTEPJFXBGPJ-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.75
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trinaphthalen-1-yl(phenyl)phosphanium
CID 150544411
naphthalen-1-yl(triphenyl)phosphanium perchlorate
CID 71356057
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036
(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide
CID 87661326
trihydroxy(naphthalen-1-yl)phosphanium
CID 57315361
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
bis(1-methylindol-4-yl)-diphenylphosphanium
CID 177284167
CID 174934257
CID 174934257
naphthalen-1-yl-phenacyl-diphenylphosphanium
CID 139734884
methanamine;tetraphenylboranuide
CID 175835863
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide?
The IUPAC name of dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide (CID 139757718) is dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide.
What is the SMILES notation for dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide?
The canonical SMILES for dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide is c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide?
The InChIKey is HNNHTEPJFXBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24P.C24H20B/c1-3-17-27(18-4-1)33(28-19-5-2-6-20-28,31-23-11-15-25-13-7-9-21-29(25)31)32-24-12-16-26-14-8-10-22-30(26)32;1-5-13-21(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/h1-24H;1-20H/q+1;-1.
What are the key properties of dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide?
dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide has a molecular weight of 758.75 g/mol, XLogP of 9.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-yl(diphenyl)phosphanium;tetraphenylboranuide is sourced from PubChem (CID 139757718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).