4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)

C31H22N4ORh — CID 162463251

IUPAC4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)
SMILESCc1nn(-c2[c-]cccc2)cc1-c1ccc2c(c1)oc1ccccc12.[Rh+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C22H15N2O.C9H7N2.Rh/c1-15-20(14-24(23-15)17-7-3-2-4-8-17)16-11-12-19-18-9-5-6-10-21(18)25-22(19)13-16;1-2-5-9(6-3-1)11-8-4-7-10-11;/h2-7,9-14H,1H3;1-5,7-8H;/q2*-1;+2
InChIKeyDMMPGIONYXVUDZ-UHFFFAOYSA-N
MW569.45 g/mol
LogP7.22
Rot. Bonds3

About 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)

4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) (PubChem CID 162463251) has the molecular formula C31H22N4ORh and a molecular weight of 569.45 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+).

Molecular Properties

Compound Name4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)
PubChem CID162463251
Molecular FormulaC31H22N4ORh
Molecular Weight569.45 g/mol
Exact Mass569.08
IUPAC Name4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)
SMILESCc1nn(-c2[c-]cccc2)cc1-c1ccc2c(c1)oc1ccccc12.[Rh+2].[c-]1ccccc1-n1cccn1
InChIInChI=1S/C22H15N2O.C9H7N2.Rh/c1-15-20(14-24(23-15)17-7-3-2-4-8-17)16-11-12-19-18-9-5-6-10-21(18)25-22(19)13-16;1-2-5-9(6-3-1)11-8-4-7-10-11;/h2-7,9-14H,1H3;1-5,7-8H;/q2*-1;+2
InChIKeyDMMPGIONYXVUDZ-UHFFFAOYSA-N
XLogP7.22
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.45
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857
3-(3-dibenzofuran-3-yl-2,4-dimethylbenzene-6-id-1-yl)indazol-2-ide;3-[2,4-dimethyl-3-(4-phenylphenyl)benzene-6-id-1-yl]indazol-2-ide;3-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]indazol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);3-[3-(4-phenylphenyl)benzene-6-id-1-yl]indazol-2-ide;bis(1-phenylpyrazole);platinum
CID 158090967
3-(2-chlorophenyl)dibenzofuran
CID 138667405
bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);bis(3,5-dimethyl-1-phenylpyrazole);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(1-phenylpyrazole);pentakis(rhodium(2+))
CID 157438201
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
CID 59858920
2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)-1,3-oxazole;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-1,3-thiazole;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 157496553
3-(2-fluorophenyl)dibenzofuran
CID 176831249
3-(3-methylphenyl)dibenzofuran
CID 70924364
4-dibenzofuran-3-yl-5-methyl-2-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 157122152
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)?
The IUPAC name of 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) (CID 162463251) is 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+).
What is the SMILES notation for 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)?
The canonical SMILES for 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) is Cc1nn(-c2[c-]cccc2)cc1-c1ccc2c(c1)oc1ccccc12.[Rh+2].[c-]1ccccc1-n1cccn1.
What is the InChIKey of 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)?
The InChIKey is DMMPGIONYXVUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2O.C9H7N2.Rh/c1-15-20(14-24(23-15)17-7-3-2-4-8-17)16-11-12-19-18-9-5-6-10-21(18)25-22(19)13-16;1-2-5-9(6-3-1)11-8-4-7-10-11;/h2-7,9-14H,1H3;1-5,7-8H;/q2*-1;+2.
What are the key properties of 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+)?
4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) has a molecular weight of 569.45 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-3-methyl-1-phenylpyrazole;1-phenylpyrazole;rhodium(2+) is sourced from PubChem (CID 162463251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).