2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)

C118H91F2N10O9Rh5-5 — CID 159399479

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C21H15NO2.C18H13N3O.2C15H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H8O2.5Rh/c23-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h1-14,23H;1-12,22H;1-7,9-11H;1-6,8-11H;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q;;5*-1;;;;;;;;
InChIKeyUPEAADYIEQUVJN-UHFFFAOYSA-N
MW2345.61 g/mol
LogP27.34
Rot. Bonds13

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) (PubChem CID 159399479) has the molecular formula C118H91F2N10O9Rh5-5 and a molecular weight of 2345.61 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)
PubChem CID159399479
Molecular FormulaC118H91F2N10O9Rh5-5
Molecular Weight2345.61 g/mol
Exact Mass2344.22
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C21H15NO2.C18H13N3O.2C15H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H8O2.5Rh/c23-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h1-14,23H;1-12,22H;1-7,9-11H;1-6,8-11H;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q;;5*-1;;;;;;;;
InChIKeyUPEAADYIEQUVJN-UHFFFAOYSA-N
XLogP27.34
TPSA286.44 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.61
LogP ≤ 527.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) (CID 159399479) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Rh].[Rh].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)?
The InChIKey is UPEAADYIEQUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2.C18H13N3O.2C15H10N.C11H6F2N.2C11H8N.C6H5NO2.2C5H8O2.5Rh/c23-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h1-14,23H;1-12,22H;1-7,9-11H;1-6,8-11H;1-4,6-7H;2*1-6,8-9H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q;;5*-1;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium)?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) has a molecular weight of 2345.61 g/mol, XLogP of 27.34, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4,5-diphenyl-1,3-oxazol-2-yl)phenol;bis(4-hydroxypent-3-en-2-one);2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-phenylisoquinoline;bis(2-phenylpyridine);2-phenylquinoline;pyridine-2-carboxylic acid;pentakis(rhodium) is sourced from PubChem (CID 159399479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).