CID 10862478

C24H33BN2OP — CID 10862478

IUPAC—
SMILESCCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C24H33N2OP.B/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23;/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3;/b25-19-;/t21-,24+;/m0./s1
InChIKeyIIHOXTBRXANHKP-SZRLNCRYSA-N
MW407.33 g/mol
LogP4.39
Rot. Bonds10

About CID 10862478

CID 10862478 (PubChem CID 10862478) has the molecular formula C24H33BN2OP and a molecular weight of 407.33 g/mol.

Molecular Properties

Compound NameCID 10862478
PubChem CID10862478
Molecular FormulaC24H33BN2OP
Molecular Weight407.33 g/mol
Exact Mass407.24
IUPAC Name—
SMILESCCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C24H33N2OP.B/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23;/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3;/b25-19-;/t21-,24+;/m0./s1
InChIKeyIIHOXTBRXANHKP-SZRLNCRYSA-N
XLogP4.39
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 10862478 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10862478?
The IUPAC name of CID 10862478 (CID 10862478) is not available.
What is the SMILES notation for CID 10862478?
The canonical SMILES for CID 10862478 is CCCC[C@H](/C=N\N1CCC[C@H]1COC)P(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 10862478?
The InChIKey is IIHOXTBRXANHKP-SZRLNCRYSA-N. The full InChI is InChI=1S/C24H33N2OP.B/c1-3-4-13-24(19-25-26-18-11-12-21(26)20-27-2)28(22-14-7-5-8-15-22)23-16-9-6-10-17-23;/h5-10,14-17,19,21,24H,3-4,11-13,18,20H2,1-2H3;/b25-19-;/t21-,24+;/m0./s1.
What are the key properties of CID 10862478?
CID 10862478 has a molecular weight of 407.33 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10862478 is sourced from PubChem (CID 10862478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).