[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide

C34H34BO2P — CID 139184653

IUPAC[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
SMILES[BH3-][P+](CC(O)(c1ccccc1)c1ccccc1)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34BO2P/c35-38(32-24-14-5-15-25-32,26-33(36,28-16-6-1-7-17-28)29-18-8-2-9-19-29)27-34(37,30-20-10-3-11-21-30)31-22-12-4-13-23-31/h1-25,36-37H,26-27H2,35H3
InChIKeyXVQGGBBSWMUDNP-UHFFFAOYSA-N
MW516.43 g/mol
LogP5.48
Rot. Bonds9

About [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide

[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide (PubChem CID 139184653) has the molecular formula C34H34BO2P and a molecular weight of 516.43 g/mol. Its IUPAC name is [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide.

Molecular Properties

Compound Name[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
PubChem CID139184653
Molecular FormulaC34H34BO2P
Molecular Weight516.43 g/mol
Exact Mass516.24
IUPAC Name[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
SMILES[BH3-][P+](CC(O)(c1ccccc1)c1ccccc1)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34BO2P/c35-38(32-24-14-5-15-25-32,26-33(36,28-16-6-1-7-17-28)29-18-8-2-9-19-29)27-34(37,30-20-10-3-11-21-30)31-22-12-4-13-23-31/h1-25,36-37H,26-27H2,35H3
InChIKeyXVQGGBBSWMUDNP-UHFFFAOYSA-N
XLogP5.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 134904563
CID 134904563
CID 136819313
CID 136819313
2-iodo-1,1-diphenylethanol
CID 11738821
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
1-chloro-4,4,4-triphenylbutan-2-ol
CID 174658111
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
CID 134904157
CID 134904157
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
(2,2-dichloro-1,1-diphenylethyl)benzene
CID 141484377

Frequently Asked Questions

What is the IUPAC name of [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide?
The IUPAC name of [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide (CID 139184653) is [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide.
What is the SMILES notation for [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide?
The canonical SMILES for [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide is [BH3-][P+](CC(O)(c1ccccc1)c1ccccc1)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide?
The InChIKey is XVQGGBBSWMUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34BO2P/c35-38(32-24-14-5-15-25-32,26-33(36,28-16-6-1-7-17-28)29-18-8-2-9-19-29)27-34(37,30-20-10-3-11-21-30)31-22-12-4-13-23-31/h1-25,36-37H,26-27H2,35H3.
What are the key properties of [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide?
[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide has a molecular weight of 516.43 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide is sourced from PubChem (CID 139184653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).