CID 174725022

C28H29BP+ — CID 174725022

IUPAC—
SMILES[B]CCCC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H9B/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;1-2-3-4-5/h1-20H;2-4H2,1H3/q+1;
InChIKeyRZDQIXUWXNPEDR-UHFFFAOYSA-N
MW407.33 g/mol
LogP5.68
Rot. Bonds6

About CID 174725022

CID 174725022 (PubChem CID 174725022) has the molecular formula C28H29BP+ and a molecular weight of 407.33 g/mol.

Molecular Properties

Compound NameCID 174725022
PubChem CID174725022
Molecular FormulaC28H29BP+
Molecular Weight407.33 g/mol
Exact Mass407.21
IUPAC Name—
SMILES[B]CCCC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H9B/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;1-2-3-4-5/h1-20H;2-4H2,1H3/q+1;
InChIKeyRZDQIXUWXNPEDR-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.33
LogP ≤ 55.68
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

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tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
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hexyl(triphenyl)phosphanium
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butanoate;tetraphenylphosphanium
CID 146567473
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium iodide
CID 22245251
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
tetraphenylphosphanium;trifluorophosphane
CID 175419552
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714

Frequently Asked Questions

What is the IUPAC name of CID 174725022?
The IUPAC name of CID 174725022 (CID 174725022) is not available.
What is the SMILES notation for CID 174725022?
The canonical SMILES for CID 174725022 is [B]CCCC.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 174725022?
The InChIKey is RZDQIXUWXNPEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20P.C4H9B/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;1-2-3-4-5/h1-20H;2-4H2,1H3/q+1;.
What are the key properties of CID 174725022?
CID 174725022 has a molecular weight of 407.33 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174725022 is sourced from PubChem (CID 174725022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).