bis(1,1'-biphenyl);chromium(3+);triiodide

C24H20CrI3 — CID 163778022

IUPACbis(1,1'-biphenyl);chromium(3+);triiodide
SMILES[Cr+3].[I-].[I-].[I-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.Cr.3HI/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h2*1-10H;;3*1H/q;;+3;;;/p-3
InChIKeyMMEAIZUDTUJUMW-UHFFFAOYSA-K
MW741.13 g/mol
LogP-2.28
Rot. Bonds2

About bis(1,1'-biphenyl);chromium(3+);triiodide

bis(1,1'-biphenyl);chromium(3+);triiodide (PubChem CID 163778022) has the molecular formula C24H20CrI3 and a molecular weight of 741.13 g/mol. Its IUPAC name is bis(1,1'-biphenyl);chromium(3+);triiodide.

Molecular Properties

Compound Namebis(1,1'-biphenyl);chromium(3+);triiodide
PubChem CID163778022
Molecular FormulaC24H20CrI3
Molecular Weight741.13 g/mol
Exact Mass740.81
IUPAC Namebis(1,1'-biphenyl);chromium(3+);triiodide
SMILES[Cr+3].[I-].[I-].[I-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.Cr.3HI/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h2*1-10H;;3*1H/q;;+3;;;/p-3
InChIKeyMMEAIZUDTUJUMW-UHFFFAOYSA-K
XLogP-2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.13
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);chromium(3+);triiodide?
The IUPAC name of bis(1,1'-biphenyl);chromium(3+);triiodide (CID 163778022) is bis(1,1'-biphenyl);chromium(3+);triiodide.
What is the SMILES notation for bis(1,1'-biphenyl);chromium(3+);triiodide?
The canonical SMILES for bis(1,1'-biphenyl);chromium(3+);triiodide is [Cr+3].[I-].[I-].[I-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);chromium(3+);triiodide?
The InChIKey is MMEAIZUDTUJUMW-UHFFFAOYSA-K. The full InChI is InChI=1S/2C12H10.Cr.3HI/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;/h2*1-10H;;3*1H/q;;+3;;;/p-3.
What are the key properties of bis(1,1'-biphenyl);chromium(3+);triiodide?
bis(1,1'-biphenyl);chromium(3+);triiodide has a molecular weight of 741.13 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);chromium(3+);triiodide is sourced from PubChem (CID 163778022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).