CID 134904563

C26H23BOP — CID 134904563

IUPAC—
SMILES[B-][P+](CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23BOP/c27-29(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-26(28,22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,28H,21H2
InChIKeyBRPOVLJDSISSRY-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.67
Rot. Bonds6

About CID 134904563

CID 134904563 (PubChem CID 134904563) has the molecular formula C26H23BOP and a molecular weight of 393.26 g/mol.

Molecular Properties

Compound NameCID 134904563
PubChem CID134904563
Molecular FormulaC26H23BOP
Molecular Weight393.26 g/mol
Exact Mass393.16
IUPAC Name—
SMILES[B-][P+](CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23BOP/c27-29(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-26(28,22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,28H,21H2
InChIKeyBRPOVLJDSISSRY-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
CID 139184653
CID 136819313
CID 136819313
CID 134904157
CID 134904157
2-iodo-1,1-diphenylethanol
CID 11738821
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
3-methyl-2-phenylpentan-2-ol
CID 13024634
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
bis(diethyl-(3-hydroxy-1,3,3-triphenylpropyl)-methylazanium);dichloride;hydrate
CID 20976387
2-tert-butyl-4-hydroxy-4-phenylpentanoic acid
CID 83139569

Frequently Asked Questions

What is the IUPAC name of CID 134904563?
The IUPAC name of CID 134904563 (CID 134904563) is not available.
What is the SMILES notation for CID 134904563?
The canonical SMILES for CID 134904563 is [B-][P+](CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 134904563?
The InChIKey is BRPOVLJDSISSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BOP/c27-29(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-26(28,22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,28H,21H2.
What are the key properties of CID 134904563?
CID 134904563 has a molecular weight of 393.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134904563 is sourced from PubChem (CID 134904563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).