CID 89107891

C24H26BOP2+ — CID 89107891

IUPAC—
SMILES[B][P+](CC[C@H]1CCC[P@]1(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BOP2/c25-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)20-18-24-17-10-19-28(24,26)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2/q+1/t24-,28+/m1/s1
InChIKeyAEQZZKUNCDEOIG-YWEHKCAJSA-N
MW403.23 g/mol
LogP4.98
Rot. Bonds6

About CID 89107891

CID 89107891 (PubChem CID 89107891) has the molecular formula C24H26BOP2+ and a molecular weight of 403.23 g/mol.

Molecular Properties

Compound NameCID 89107891
PubChem CID89107891
Molecular FormulaC24H26BOP2+
Molecular Weight403.23 g/mol
Exact Mass403.15
IUPAC Name—
SMILES[B][P+](CC[C@H]1CCC[P@]1(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BOP2/c25-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)20-18-24-17-10-19-28(24,26)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2/q+1/t24-,28+/m1/s1
InChIKeyAEQZZKUNCDEOIG-YWEHKCAJSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 89107891 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
CID 161493875
CID 161493875
ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
CID 68526810
CID 159102666
CID 159102666
3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
CID 132561705
(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
CID 69259732
(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
CID 91380508
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
[bis(3,5-ditert-butylphenyl)-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)methyl]-oxophosphanium
CID 154081538
CID 166445594
CID 166445594
3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
CID 142765666

Frequently Asked Questions

What is the IUPAC name of CID 89107891?
The IUPAC name of CID 89107891 (CID 89107891) is not available.
What is the SMILES notation for CID 89107891?
The canonical SMILES for CID 89107891 is [B][P+](CC[C@H]1CCC[P@]1(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 89107891?
The InChIKey is AEQZZKUNCDEOIG-YWEHKCAJSA-N. The full InChI is InChI=1S/C24H26BOP2/c25-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)20-18-24-17-10-19-28(24,26)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2/q+1/t24-,28+/m1/s1.
What are the key properties of CID 89107891?
CID 89107891 has a molecular weight of 403.23 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89107891 is sourced from PubChem (CID 89107891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).