CID 21451224

C28H28Sb2 — CID 21451224

IUPAC—
SMILESc1ccc(C[Sb]Cc2ccccc2)cc1.c1ccc(C[Sb]Cc2ccccc2)cc1
InChIInChI=1S/4C7H7.2Sb/c4*1-7-5-3-2-4-6-7;;/h4*2-6H,1H2;;
InChIKeyFVRRWVCIBCPQNK-UHFFFAOYSA-N
MW608.05 g/mol
LogP6.18
Rot. Bonds8

About CID 21451224

CID 21451224 (PubChem CID 21451224) has the molecular formula C28H28Sb2 and a molecular weight of 608.05 g/mol.

Molecular Properties

Compound NameCID 21451224
PubChem CID21451224
Molecular FormulaC28H28Sb2
Molecular Weight608.05 g/mol
Exact Mass606.03
IUPAC Name—
SMILESc1ccc(C[Sb]Cc2ccccc2)cc1.c1ccc(C[Sb]Cc2ccccc2)cc1
InChIInChI=1S/4C7H7.2Sb/c4*1-7-5-3-2-4-6-7;;/h4*2-6H,1H2;;
InChIKeyFVRRWVCIBCPQNK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.05
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21451224?
The IUPAC name of CID 21451224 (CID 21451224) is not available.
What is the SMILES notation for CID 21451224?
The canonical SMILES for CID 21451224 is c1ccc(C[Sb]Cc2ccccc2)cc1.c1ccc(C[Sb]Cc2ccccc2)cc1.
What is the InChIKey of CID 21451224?
The InChIKey is FVRRWVCIBCPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H7.2Sb/c4*1-7-5-3-2-4-6-7;;/h4*2-6H,1H2;;.
What are the key properties of CID 21451224?
CID 21451224 has a molecular weight of 608.05 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21451224 is sourced from PubChem (CID 21451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).