CID 119079827

C24H28BNP — CID 119079827

IUPAC—
SMILESCC(C)N([B]c1ccccc1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H28BNP/c1-19(2)26(20(3)4)25-23-17-11-12-18-24(23)27(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3
InChIKeyCPZVBWQULPEFLM-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.81
Rot. Bonds7

About CID 119079827

CID 119079827 (PubChem CID 119079827) has the molecular formula C24H28BNP and a molecular weight of 372.28 g/mol.

Molecular Properties

Compound NameCID 119079827
PubChem CID119079827
Molecular FormulaC24H28BNP
Molecular Weight372.28 g/mol
Exact Mass372.21
IUPAC Name—
SMILESCC(C)N([B]c1ccccc1P(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C24H28BNP/c1-19(2)26(20(3)4)25-23-17-11-12-18-24(23)27(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3
InChIKeyCPZVBWQULPEFLM-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.81
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 119079827 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-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
8-diphenylphosphanyl-N-methyl-N-propan-2-ylnaphthalen-1-amine
CID 102023770
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
ethane;triphenylphosphane
CID 90942156
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
2-diphenylphosphanylaniline;ethane
CID 177151312

Frequently Asked Questions

What is the IUPAC name of CID 119079827?
The IUPAC name of CID 119079827 (CID 119079827) is not available.
What is the SMILES notation for CID 119079827?
The canonical SMILES for CID 119079827 is CC(C)N([B]c1ccccc1P(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of CID 119079827?
The InChIKey is CPZVBWQULPEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BNP/c1-19(2)26(20(3)4)25-23-17-11-12-18-24(23)27(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-20H,1-4H3.
What are the key properties of CID 119079827?
CID 119079827 has a molecular weight of 372.28 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119079827 is sourced from PubChem (CID 119079827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).