tetrakis(4-ethylpyridine);rhodium(3+);trichloride

C28H36Cl3N4Rh — CID 3080726

IUPACtetrakis(4-ethylpyridine);rhodium(3+);trichloride
SMILESCCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/4C7H9N.3ClH.Rh/c4*1-2-7-3-5-8-6-4-7;;;;/h4*3-6H,2H2,1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyDDQZRPKNIADPKS-UHFFFAOYSA-K
MW637.89 g/mol
LogP-2.41
Rot. Bonds4

About tetrakis(4-ethylpyridine);rhodium(3+);trichloride

tetrakis(4-ethylpyridine);rhodium(3+);trichloride (PubChem CID 3080726) has the molecular formula C28H36Cl3N4Rh and a molecular weight of 637.89 g/mol. Its IUPAC name is tetrakis(4-ethylpyridine);rhodium(3+);trichloride.

Molecular Properties

Compound Nametetrakis(4-ethylpyridine);rhodium(3+);trichloride
PubChem CID3080726
Molecular FormulaC28H36Cl3N4Rh
Molecular Weight637.89 g/mol
Exact Mass636.11
IUPAC Nametetrakis(4-ethylpyridine);rhodium(3+);trichloride
SMILESCCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/4C7H9N.3ClH.Rh/c4*1-2-7-3-5-8-6-4-7;;;;/h4*3-6H,2H2,1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyDDQZRPKNIADPKS-UHFFFAOYSA-K
XLogP-2.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.89
LogP ≤ 5-2.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-ethylpyridine);rhodium(3+);trichloride?
The IUPAC name of tetrakis(4-ethylpyridine);rhodium(3+);trichloride (CID 3080726) is tetrakis(4-ethylpyridine);rhodium(3+);trichloride.
What is the SMILES notation for tetrakis(4-ethylpyridine);rhodium(3+);trichloride?
The canonical SMILES for tetrakis(4-ethylpyridine);rhodium(3+);trichloride is CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.CCc1ccncc1.[Cl-].[Cl-].[Cl-].[Rh+3].
What is the InChIKey of tetrakis(4-ethylpyridine);rhodium(3+);trichloride?
The InChIKey is DDQZRPKNIADPKS-UHFFFAOYSA-K. The full InChI is InChI=1S/4C7H9N.3ClH.Rh/c4*1-2-7-3-5-8-6-4-7;;;;/h4*3-6H,2H2,1H3;3*1H;/q;;;;;;;+3/p-3.
What are the key properties of tetrakis(4-ethylpyridine);rhodium(3+);trichloride?
tetrakis(4-ethylpyridine);rhodium(3+);trichloride has a molecular weight of 637.89 g/mol, XLogP of -2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-ethylpyridine);rhodium(3+);trichloride is sourced from PubChem (CID 3080726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).