phosphanium (3-butylphenyl)-triphenylboranuide

C28H32BP — CID 154605445

IUPACphosphanium (3-butylphenyl)-triphenylboranuide
SMILESCCCCc1cccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[PH4+]
InChIInChI=1S/C28H28B.H3P/c1-2-3-14-24-15-13-22-28(23-24)29(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27;/h4-13,15-23H,2-3,14H2,1H3;1H3/q-1;/p+1
InChIKeyVIPMWDCNCMZWSV-UHFFFAOYSA-O
MW410.35 g/mol
LogP4.20
Rot. Bonds7

About phosphanium (3-butylphenyl)-triphenylboranuide

phosphanium (3-butylphenyl)-triphenylboranuide (PubChem CID 154605445) has the molecular formula C28H32BP and a molecular weight of 410.35 g/mol. Its IUPAC name is phosphanium (3-butylphenyl)-triphenylboranuide.

Molecular Properties

Compound Namephosphanium (3-butylphenyl)-triphenylboranuide
PubChem CID154605445
Molecular FormulaC28H32BP
Molecular Weight410.35 g/mol
Exact Mass410.23
IUPAC Namephosphanium (3-butylphenyl)-triphenylboranuide
SMILESCCCCc1cccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[PH4+]
InChIInChI=1S/C28H28B.H3P/c1-2-3-14-24-15-13-22-28(23-24)29(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27;/h4-13,15-23H,2-3,14H2,1H3;1H3/q-1;/p+1
InChIKeyVIPMWDCNCMZWSV-UHFFFAOYSA-O
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.20
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

3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
butylbenzene;propylbenzene
CID 142022125
1-butyl-3-(2-phenylethynyl)benzene
CID 139636204
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
1,3-di(tetradecyl)benzene
CID 91053224
butylbenzene;hydroxylamine
CID 175142403
1-benzyl-3-pentadecylbenzene
CID 173121378
1,3-dipentylbenzene;fluorobenzene
CID 174957175
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
butylbenzene;carbonic acid
CID 158278492
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744

Frequently Asked Questions

What is the IUPAC name of phosphanium (3-butylphenyl)-triphenylboranuide?
The IUPAC name of phosphanium (3-butylphenyl)-triphenylboranuide (CID 154605445) is phosphanium (3-butylphenyl)-triphenylboranuide.
What is the SMILES notation for phosphanium (3-butylphenyl)-triphenylboranuide?
The canonical SMILES for phosphanium (3-butylphenyl)-triphenylboranuide is CCCCc1cccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[PH4+].
What is the InChIKey of phosphanium (3-butylphenyl)-triphenylboranuide?
The InChIKey is VIPMWDCNCMZWSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H28B.H3P/c1-2-3-14-24-15-13-22-28(23-24)29(25-16-7-4-8-17-25,26-18-9-5-10-19-26)27-20-11-6-12-21-27;/h4-13,15-23H,2-3,14H2,1H3;1H3/q-1;/p+1.
What are the key properties of phosphanium (3-butylphenyl)-triphenylboranuide?
phosphanium (3-butylphenyl)-triphenylboranuide has a molecular weight of 410.35 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium (3-butylphenyl)-triphenylboranuide is sourced from PubChem (CID 154605445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).