CID 154717981

C17H19BP+ — CID 154717981

IUPAC—
SMILES[B][P+](CC)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BP/c1-2-19(18,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15H2,1H3/q+1/b12-9+
InChIKeyICECEUSRBFIXTA-FMIVXFBMSA-N
MW265.12 g/mol
LogP4.15
Rot. Bonds5

About CID 154717981

CID 154717981 (PubChem CID 154717981) has the molecular formula C17H19BP+ and a molecular weight of 265.12 g/mol.

Molecular Properties

Compound NameCID 154717981
PubChem CID154717981
Molecular FormulaC17H19BP+
Molecular Weight265.12 g/mol
Exact Mass265.13
IUPAC Name—
SMILES[B][P+](CC)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19BP/c1-2-19(18,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15H2,1H3/q+1/b12-9+
InChIKeyICECEUSRBFIXTA-FMIVXFBMSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 54.15
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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CID 91021368
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CID 55254237
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
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(3-methylphenyl)methyl-diphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
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Frequently Asked Questions

What is the IUPAC name of CID 154717981?
The IUPAC name of CID 154717981 (CID 154717981) is not available.
What is the SMILES notation for CID 154717981?
The canonical SMILES for CID 154717981 is [B][P+](CC)(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of CID 154717981?
The InChIKey is ICECEUSRBFIXTA-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H19BP/c1-2-19(18,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15H2,1H3/q+1/b12-9+.
What are the key properties of CID 154717981?
CID 154717981 has a molecular weight of 265.12 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154717981 is sourced from PubChem (CID 154717981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).