chromium(2+);bis(2-methyl-1H-inden-1-ide)

C20H18Cr — CID 139887885

IUPACchromium(2+);bis(2-methyl-1H-inden-1-ide)
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cr+2]
InChIInChI=1S/2C10H9.Cr/c2*1-8-6-9-4-2-3-5-10(9)7-8;/h2*2-7H,1H3;/q2*-1;+2
InChIKeyPMRDTBNFAKMHNL-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.73
Rot. Bonds

About chromium(2+);bis(2-methyl-1H-inden-1-ide)

chromium(2+);bis(2-methyl-1H-inden-1-ide) (PubChem CID 139887885) has the molecular formula C20H18Cr and a molecular weight of 310.36 g/mol. Its IUPAC name is chromium(2+);bis(2-methyl-1H-inden-1-ide).

Molecular Properties

Compound Namechromium(2+);bis(2-methyl-1H-inden-1-ide)
PubChem CID139887885
Molecular FormulaC20H18Cr
Molecular Weight310.36 g/mol
Exact Mass310.08
IUPAC Namechromium(2+);bis(2-methyl-1H-inden-1-ide)
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cr+2]
InChIInChI=1S/2C10H9.Cr/c2*1-8-6-9-4-2-3-5-10(9)7-8;/h2*2-7H,1H3;/q2*-1;+2
InChIKeyPMRDTBNFAKMHNL-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(2-methyl-1H-inden-1-ide)?
The IUPAC name of chromium(2+);bis(2-methyl-1H-inden-1-ide) (CID 139887885) is chromium(2+);bis(2-methyl-1H-inden-1-ide).
What is the SMILES notation for chromium(2+);bis(2-methyl-1H-inden-1-ide)?
The canonical SMILES for chromium(2+);bis(2-methyl-1H-inden-1-ide) is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cr+2].
What is the InChIKey of chromium(2+);bis(2-methyl-1H-inden-1-ide)?
The InChIKey is PMRDTBNFAKMHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.Cr/c2*1-8-6-9-4-2-3-5-10(9)7-8;/h2*2-7H,1H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(2-methyl-1H-inden-1-ide)?
chromium(2+);bis(2-methyl-1H-inden-1-ide) has a molecular weight of 310.36 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(2-methyl-1H-inden-1-ide) is sourced from PubChem (CID 139887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).