CID 25144125

C46H46AuClFeN2O2P2+4 — CID 25144125

IUPAC—
SMILESCC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.CC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.[Au+3].[Cl-].[Fe+2]
InChIInChI=1S/2C23H23NOP.Au.ClH.Fe/c2*1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;;;/h2*3-15,17,21H,16H2,1-2H3;;1H;/q;;+3;;+2/p-1
InChIKeyVSALRGGHSFOWFW-UHFFFAOYSA-M
MW1009.10 g/mol
LogP5.61
Rot. Bonds10

About CID 25144125

CID 25144125 (PubChem CID 25144125) has the molecular formula C46H46AuClFeN2O2P2+4 and a molecular weight of 1009.10 g/mol.

Molecular Properties

Compound NameCID 25144125
PubChem CID25144125
Molecular FormulaC46H46AuClFeN2O2P2+4
Molecular Weight1009.10 g/mol
Exact Mass1008.17
IUPAC Name—
SMILESCC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.CC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.[Au+3].[Cl-].[Fe+2]
InChIInChI=1S/2C23H23NOP.Au.ClH.Fe/c2*1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;;;/h2*3-15,17,21H,16H2,1-2H3;;1H;/q;;+3;;+2/p-1
InChIKeyVSALRGGHSFOWFW-UHFFFAOYSA-M
XLogP5.61
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.10
LogP ≤ 55.61
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'}

Analyze CID 25144125 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 25144125?
The IUPAC name of CID 25144125 (CID 25144125) is not available.
What is the SMILES notation for CID 25144125?
The canonical SMILES for CID 25144125 is CC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.CC(C)C1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1.[Au+3].[Cl-].[Fe+2].
What is the InChIKey of CID 25144125?
The InChIKey is VSALRGGHSFOWFW-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H23NOP.Au.ClH.Fe/c2*1-17(2)21-16-25-23(24-21)20-14-9-15-22(20)26(18-10-5-3-6-11-18)19-12-7-4-8-13-19;;;/h2*3-15,17,21H,16H2,1-2H3;;1H;/q;;+3;;+2/p-1.
What are the key properties of CID 25144125?
CID 25144125 has a molecular weight of 1009.10 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25144125 is sourced from PubChem (CID 25144125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).