chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)

C24H40CrN2 — CID 139164166

IUPACchromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)
SMILESCC(C)(C)c1ccc(C(C)(C)C)[n-]1.CC(C)(C)c1ccc(C(C)(C)C)[n-]1.[Cr+2]
InChIInChI=1S/2C12H20N.Cr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7-8H,1-6H3;/q2*-1;+2
InChIKeyYPZGREUYMJNJDQ-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.48
Rot. Bonds

About chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)

chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide) (PubChem CID 139164166) has the molecular formula C24H40CrN2 and a molecular weight of 408.59 g/mol. Its IUPAC name is chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide).

Molecular Properties

Compound Namechromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)
PubChem CID139164166
Molecular FormulaC24H40CrN2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Namechromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)
SMILESCC(C)(C)c1ccc(C(C)(C)C)[n-]1.CC(C)(C)c1ccc(C(C)(C)C)[n-]1.[Cr+2]
InChIInChI=1S/2C12H20N.Cr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7-8H,1-6H3;/q2*-1;+2
InChIKeyYPZGREUYMJNJDQ-UHFFFAOYSA-N
XLogP6.48
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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tetrakis(1-tert-butyl-4-methylbenzene);ethane
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1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
(4-tert-butylphenyl)sulfinylphosphane
CID 70807217
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)
CID 11423212
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
1-tert-butyl-3-ethylsulfinylbenzene
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CID 145339056

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)?
The IUPAC name of chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide) (CID 139164166) is chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide).
What is the SMILES notation for chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)?
The canonical SMILES for chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide) is CC(C)(C)c1ccc(C(C)(C)C)[n-]1.CC(C)(C)c1ccc(C(C)(C)C)[n-]1.[Cr+2].
What is the InChIKey of chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)?
The InChIKey is YPZGREUYMJNJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N.Cr/c2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;/h2*7-8H,1-6H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide)?
chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide) has a molecular weight of 408.59 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(2,5-ditert-butylpyrrol-1-ide) is sourced from PubChem (CID 139164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).