(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide

C32H32BO2P — CID 175358048

IUPAC(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide
SMILESCOc1cc([PH3+])cc(OC)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C8H11O2P/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;1-9-6-3-7(10-2)5-8(11)4-6/h1-20H;3-5H,11H2,1-2H3/q-1;/p+1
InChIKeyAZLOVSCNAVMFLK-UHFFFAOYSA-O
MW490.39 g/mol
LogP4.00
Rot. Bonds6

About (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide

(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide (PubChem CID 175358048) has the molecular formula C32H32BO2P and a molecular weight of 490.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide
PubChem CID175358048
Molecular FormulaC32H32BO2P
Molecular Weight490.39 g/mol
Exact Mass490.22
IUPAC Name(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide
SMILESCOc1cc([PH3+])cc(OC)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C8H11O2P/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;1-9-6-3-7(10-2)5-8(11)4-6/h1-20H;3-5H,11H2,1-2H3/q-1;/p+1
InChIKeyAZLOVSCNAVMFLK-UHFFFAOYSA-O
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
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

(4-methoxyphenyl)-triphenylboranuide;tetramethylazanium
CID 11452981
1,3-dimethoxy-5-phenylbenzene
CID 11469945
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
calcium;tetraphenylboranuide;iodide
CID 23136649
phosphane;1,3,5-trimethoxybenzene
CID 175232895
(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl) N,N-diphenylcarbamate;tetraphenylboranuide
CID 126476762
tetraphenylboranuide;triethylazanium
CID 11080326
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
CID 174807806
CID 174807806
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide?
The IUPAC name of (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide (CID 175358048) is (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide.
What is the SMILES notation for (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide?
The canonical SMILES for (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide is COc1cc([PH3+])cc(OC)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide?
The InChIKey is AZLOVSCNAVMFLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.C8H11O2P/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;1-9-6-3-7(10-2)5-8(11)4-6/h1-20H;3-5H,11H2,1-2H3/q-1;/p+1.
What are the key properties of (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide?
(3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide has a molecular weight of 490.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)phosphanium;tetraphenylboranuide is sourced from PubChem (CID 175358048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).