4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))

C134H96N10ORh2S — CID 159221757

IUPAC4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)ccn1.[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C23H19N2.C23H14NO.C23H14NS.2C21H15N2.2Rh/c2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;/h2*3-11,13-16H,1-2H3;2*1-6,8-15H;2*1-9,11-16H;;/q6*-1;2*+3
InChIKeyYXLWWLASCIAMHF-UHFFFAOYSA-N
MW2100.19 g/mol
LogP33.95
Rot. Bonds16

About 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))

4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) (PubChem CID 159221757) has the molecular formula C134H96N10ORh2S and a molecular weight of 2100.19 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)).

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
PubChem CID159221757
Molecular FormulaC134H96N10ORh2S
Molecular Weight2100.19 g/mol
Exact Mass2098.56
IUPAC Name4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)ccn1.[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/2C23H19N2.C23H14NO.C23H14NS.2C21H15N2.2Rh/c2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;/h2*3-11,13-16H,1-2H3;2*1-6,8-15H;2*1-9,11-16H;;/q6*-1;2*+3
InChIKeyYXLWWLASCIAMHF-UHFFFAOYSA-N
XLogP33.95
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.19
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) (CID 159221757) is 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)).
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Rh+3].[Rh+3].[c-]1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)ccn1.[c-]1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)ccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
The InChIKey is YXLWWLASCIAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19N2.C23H14NO.C23H14NS.2C21H15N2.2Rh/c2*1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;2*1-2-6-16(7-3-1)21-14-18(12-13-24-21)17-10-11-20-19-8-4-5-9-22(19)25-23(20)15-17;2*1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;;/h2*3-11,13-16H,1-2H3;2*1-6,8-15H;2*1-9,11-16H;;/q6*-1;2*+3.
What are the key properties of 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))?
4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) has a molecular weight of 2100.19 g/mol, XLogP of 33.95, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-2-phenylpyridine;4-dibenzothiophen-3-yl-2-phenylpyridine;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+)) is sourced from PubChem (CID 159221757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).