CID 178076865

C19H17BP — CID 178076865

IUPAC—
SMILES[B](Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17BP/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyUUCBXRWABOAKTF-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.94
Rot. Bonds5

About CID 178076865

CID 178076865 (PubChem CID 178076865) has the molecular formula C19H17BP and a molecular weight of 287.13 g/mol.

Molecular Properties

Compound NameCID 178076865
PubChem CID178076865
Molecular FormulaC19H17BP
Molecular Weight287.13 g/mol
Exact Mass287.12
IUPAC Name—
SMILES[B](Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17BP/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyUUCBXRWABOAKTF-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.94
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 819497
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benzyl-hydroxy-methylideneazanium
CID 54307457

Frequently Asked Questions

What is the IUPAC name of CID 178076865?
The IUPAC name of CID 178076865 (CID 178076865) is not available.
What is the SMILES notation for CID 178076865?
The canonical SMILES for CID 178076865 is [B](Cc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 178076865?
The InChIKey is UUCBXRWABOAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BP/c1-4-10-17(11-5-1)16-20-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of CID 178076865?
CID 178076865 has a molecular weight of 287.13 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178076865 is sourced from PubChem (CID 178076865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).