tetrakis(2-phenylpyridine);bis(trichlororhodium)

C44H36Cl6N4Rh2 — CID 71311434

IUPACtetrakis(2-phenylpyridine);bis(trichlororhodium)
SMILESCl[Rh](Cl)Cl.Cl[Rh](Cl)Cl.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/4C11H9N.6ClH.2Rh/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4*1-9H;6*1H;;/q;;;;;;;;;;2*+3/p-6
InChIKeyQLKGQIHEDKXYJJ-UHFFFAOYSA-H
MW1039.33 g/mol
LogP15.13
Rot. Bonds4

About tetrakis(2-phenylpyridine);bis(trichlororhodium)

tetrakis(2-phenylpyridine);bis(trichlororhodium) (PubChem CID 71311434) has the molecular formula C44H36Cl6N4Rh2 and a molecular weight of 1039.33 g/mol. Its IUPAC name is tetrakis(2-phenylpyridine);bis(trichlororhodium).

Molecular Properties

Compound Nametetrakis(2-phenylpyridine);bis(trichlororhodium)
PubChem CID71311434
Molecular FormulaC44H36Cl6N4Rh2
Molecular Weight1039.33 g/mol
Exact Mass1035.92
IUPAC Nametetrakis(2-phenylpyridine);bis(trichlororhodium)
SMILESCl[Rh](Cl)Cl.Cl[Rh](Cl)Cl.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/4C11H9N.6ClH.2Rh/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4*1-9H;6*1H;;/q;;;;;;;;;;2*+3/p-6
InChIKeyQLKGQIHEDKXYJJ-UHFFFAOYSA-H
XLogP15.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.33
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-phenylpyridine);bis(trichlororhodium)?
The IUPAC name of tetrakis(2-phenylpyridine);bis(trichlororhodium) (CID 71311434) is tetrakis(2-phenylpyridine);bis(trichlororhodium).
What is the SMILES notation for tetrakis(2-phenylpyridine);bis(trichlororhodium)?
The canonical SMILES for tetrakis(2-phenylpyridine);bis(trichlororhodium) is Cl[Rh](Cl)Cl.Cl[Rh](Cl)Cl.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of tetrakis(2-phenylpyridine);bis(trichlororhodium)?
The InChIKey is QLKGQIHEDKXYJJ-UHFFFAOYSA-H. The full InChI is InChI=1S/4C11H9N.6ClH.2Rh/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;/h4*1-9H;6*1H;;/q;;;;;;;;;;2*+3/p-6.
What are the key properties of tetrakis(2-phenylpyridine);bis(trichlororhodium)?
tetrakis(2-phenylpyridine);bis(trichlororhodium) has a molecular weight of 1039.33 g/mol, XLogP of 15.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-phenylpyridine);bis(trichlororhodium) is sourced from PubChem (CID 71311434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).