CID 157451486

C26H20BO4P2 — CID 157451486

IUPAC—
SMILESO=P1(C[B]CP2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C26H20BO4P2/c28-32(25-15-7-3-11-21(25)19-9-1-5-13-23(19)30-32)17-27-18-33(29)26-16-8-4-12-22(26)20-10-2-6-14-24(20)31-33/h1-16H,17-18H2
InChIKeyGJNQUMICILQIBD-UHFFFAOYSA-N
MW469.20 g/mol
LogP5.93
Rot. Bonds4

About CID 157451486

CID 157451486 (PubChem CID 157451486) has the molecular formula C26H20BO4P2 and a molecular weight of 469.20 g/mol.

Molecular Properties

Compound NameCID 157451486
PubChem CID157451486
Molecular FormulaC26H20BO4P2
Molecular Weight469.20 g/mol
Exact Mass469.09
IUPAC Name—
SMILESO=P1(C[B]CP2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C26H20BO4P2/c28-32(25-15-7-3-11-21(25)19-9-1-5-13-23(19)30-32)17-27-18-33(29)26-16-8-4-12-22(26)20-10-2-6-14-24(20)31-33/h1-16H,17-18H2
InChIKeyGJNQUMICILQIBD-UHFFFAOYSA-N
XLogP5.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157451486?
The IUPAC name of CID 157451486 (CID 157451486) is not available.
What is the SMILES notation for CID 157451486?
The canonical SMILES for CID 157451486 is O=P1(C[B]CP2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of CID 157451486?
The InChIKey is GJNQUMICILQIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BO4P2/c28-32(25-15-7-3-11-21(25)19-9-1-5-13-23(19)30-32)17-27-18-33(29)26-16-8-4-12-22(26)20-10-2-6-14-24(20)31-33/h1-16H,17-18H2.
What are the key properties of CID 157451486?
CID 157451486 has a molecular weight of 469.20 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157451486 is sourced from PubChem (CID 157451486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).