dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride

C48H32Cl3N4Rh — CID 173138363

IUPACdichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
SMILESCl[Rh+]Cl.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.3ClH.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;/h2*1-16H;3*1H;/q;;;;;+3/p-3
InChIKeyUKGRQRFFUARHQF-UHFFFAOYSA-K
MW874.08 g/mol
LogP10.61
Rot. Bonds4

About dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride

dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride (PubChem CID 173138363) has the molecular formula C48H32Cl3N4Rh and a molecular weight of 874.08 g/mol. Its IUPAC name is dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride.

Molecular Properties

Compound Namedichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
PubChem CID173138363
Molecular FormulaC48H32Cl3N4Rh
Molecular Weight874.08 g/mol
Exact Mass872.07
IUPAC Namedichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
SMILESCl[Rh+]Cl.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.3ClH.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;/h2*1-16H;3*1H;/q;;;;;+3/p-3
InChIKeyUKGRQRFFUARHQF-UHFFFAOYSA-K
XLogP10.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.08
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride?
The IUPAC name of dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride (CID 173138363) is dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride.
What is the SMILES notation for dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride?
The canonical SMILES for dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride is Cl[Rh+]Cl.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride?
The InChIKey is UKGRQRFFUARHQF-UHFFFAOYSA-K. The full InChI is InChI=1S/2C24H16N2.3ClH.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;/h2*1-16H;3*1H;/q;;;;;+3/p-3.
What are the key properties of dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride?
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride has a molecular weight of 874.08 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride is sourced from PubChem (CID 173138363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).