CID 58850505

C14H14BP- — CID 58850505

IUPAC—
SMILES[B-]P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C14H14BP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q-1
InChIKeyQGTSKVBCLXNXBS-UHFFFAOYSA-N
MW224.05 g/mol
LogP2.82
Rot. Bonds2

About CID 58850505

CID 58850505 (PubChem CID 58850505) has the molecular formula C14H14BP- and a molecular weight of 224.05 g/mol.

Molecular Properties

Compound NameCID 58850505
PubChem CID58850505
Molecular FormulaC14H14BP-
Molecular Weight224.05 g/mol
Exact Mass224.09
IUPAC Name—
SMILES[B-]P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C14H14BP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q-1
InChIKeyQGTSKVBCLXNXBS-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 52.82
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

trans-Stilbene
CID 638088
cis-Stilbene
CID 5356785
trans,trans-1,4-Diphenyl-1,3-butadiene
CID 641683
Phosphine, tris(4-methylphenyl)-
CID 13956
Isopropylbiphenyl
CID 20259910
Stilbene
CID 11502
1,3-Diphenylpropane
CID 14125
1,6-Diphenylhexatriene
CID 5376733
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638
alpha-Methylstyrene dimer
CID 22521
Di-p-tolylmethane
CID 21071
Tri-o-tolylphosphine
CID 80271

Frequently Asked Questions

What is the IUPAC name of CID 58850505?
The IUPAC name of CID 58850505 (CID 58850505) is not available.
What is the SMILES notation for CID 58850505?
The canonical SMILES for CID 58850505 is [B-]P(c1ccccc1C)c1ccccc1C.
What is the InChIKey of CID 58850505?
The InChIKey is QGTSKVBCLXNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q-1.
What are the key properties of CID 58850505?
CID 58850505 has a molecular weight of 224.05 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58850505 is sourced from PubChem (CID 58850505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).