CID 119078419

C24H40As2+2 — CID 119078419

IUPAC—
SMILESCCCCC[As+](CC)C1C=CC([As+](CC)CCCCC)c2ccccc21
InChIInChI=1S/C24H40As2/c1-5-9-13-19-25(7-3)23-17-18-24(22-16-12-11-15-21(22)23)26(8-4)20-14-10-6-2/h11-12,15-18,23-24H,5-10,13-14,19-20H2,1-4H3/q+2
InChIKeyYPBOJOHNEXOJOY-UHFFFAOYSA-N
MW478.43 g/mol
LogP7.91
Rot. Bonds12

About CID 119078419

CID 119078419 (PubChem CID 119078419) has the molecular formula C24H40As2+2 and a molecular weight of 478.43 g/mol.

Molecular Properties

Compound NameCID 119078419
PubChem CID119078419
Molecular FormulaC24H40As2+2
Molecular Weight478.43 g/mol
Exact Mass478.16
IUPAC Name—
SMILESCCCCC[As+](CC)C1C=CC([As+](CC)CCCCC)c2ccccc21
InChIInChI=1S/C24H40As2/c1-5-9-13-19-25(7-3)23-17-18-24(22-16-12-11-15-21(22)23)26(8-4)20-14-10-6-2/h11-12,15-18,23-24H,5-10,13-14,19-20H2,1-4H3/q+2
InChIKeyYPBOJOHNEXOJOY-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 119078419?
The IUPAC name of CID 119078419 (CID 119078419) is not available.
What is the SMILES notation for CID 119078419?
The canonical SMILES for CID 119078419 is CCCCC[As+](CC)C1C=CC([As+](CC)CCCCC)c2ccccc21.
What is the InChIKey of CID 119078419?
The InChIKey is YPBOJOHNEXOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40As2/c1-5-9-13-19-25(7-3)23-17-18-24(22-16-12-11-15-21(22)23)26(8-4)20-14-10-6-2/h11-12,15-18,23-24H,5-10,13-14,19-20H2,1-4H3/q+2.
What are the key properties of CID 119078419?
CID 119078419 has a molecular weight of 478.43 g/mol, XLogP of 7.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078419 is sourced from PubChem (CID 119078419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).