tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)

C72H48N6Rh+3 — CID 11979749

IUPACtris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)
SMILES[Rh+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.Rh/c3*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;/h3*1-16H;/q;;;+3
InChIKeyAZPVUYTUSOGZOQ-UHFFFAOYSA-N
MW1100.12 g/mol
LogP18.35
Rot. Bonds6

About tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)

tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+) (PubChem CID 11979749) has the molecular formula C72H48N6Rh+3 and a molecular weight of 1100.12 g/mol. Its IUPAC name is tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+).

Molecular Properties

Compound Nametris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)
PubChem CID11979749
Molecular FormulaC72H48N6Rh+3
Molecular Weight1100.12 g/mol
Exact Mass1099.30
IUPAC Nametris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)
SMILES[Rh+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.Rh/c3*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;/h3*1-16H;/q;;;+3
InChIKeyAZPVUYTUSOGZOQ-UHFFFAOYSA-N
XLogP18.35
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.12
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
5,6-Dimethyl-1,10-phenanthroline
CID 76357
2-Methyl-1,10-phenanthroline
CID 4913356
2,3-Dipyridyl-6,7-dimethylquinoxaline
CID 81109
1,10-Phenanthroline monohydrochloride monohydrate
CID 2723715

Frequently Asked Questions

What is the IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)?
The IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+) (CID 11979749) is tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+).
What is the SMILES notation for tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)?
The canonical SMILES for tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+) is [Rh+3].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)?
The InChIKey is AZPVUYTUSOGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H16N2.Rh/c3*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;/h3*1-16H;/q;;;+3.
What are the key properties of tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+)?
tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+) has a molecular weight of 1100.12 g/mol, XLogP of 18.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,7-diphenyl-1,10-phenanthroline);rhodium(3+) is sourced from PubChem (CID 11979749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).