2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium

C96H100F2Ir4N9O3Rh-5 — CID 158360027

IUPAC2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cccc2)c1.CCC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.CCC(C)c1ccc(-c2[c-]cccc2)nc1.CCC(C)c1ccc(-c2ccccn2)c(O)c1.CCC(C)c1cnn(-c2[c-]cccc2)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(-c2cc(CC(C)C)ccn2)c1.[Ir].[Ir].[Ir].[Ir].[Rh]
InChIInChI=1S/C16H15N2.C16H18N.C15H14F2N.C15H17NO.C15H16N.C13H15N2.C6H5NO2.4Ir.Rh/c1-12(2)9-13-7-8-18-16(10-13)14-5-4-6-15(11-14)17-3;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;1-3-10(2)14-12(16)8-7-11(15(14)17)13-6-4-5-9-18-13;1-3-11(2)12-7-8-13(15(17)10-12)14-6-4-5-9-16-14;1-3-12(2)14-9-10-15(16-11-14)13-7-5-4-6-8-13;1-3-11(2)12-9-14-15(10-12)13-7-5-4-6-8-13;8-6(9)5-3-1-2-4-7-5;;;;;/h4,6-8,10-12H,9H2,1-2H3;4-7,9-11H,12H2,1-3H3;4-6,8-10H,3H2,1-2H3;4-11,17H,3H2,1-2H3;4-7,9-12H,3H2,1-2H3;4-7,9-11H,3H2,1-2H3;1-4H,(H,8,9);;;;;/q3*-1;;2*-1;;;;;;
InChIKeyIWJHJBCGXVZBJR-UHFFFAOYSA-N
MW2337.69 g/mol
LogP24.76
Rot. Bonds18

About 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium

2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium (PubChem CID 158360027) has the molecular formula C96H100F2Ir4N9O3Rh-5 and a molecular weight of 2337.69 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium
PubChem CID158360027
Molecular FormulaC96H100F2Ir4N9O3Rh-5
Molecular Weight2337.69 g/mol
Exact Mass2339.55
IUPAC Name2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cccc2)c1.CCC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.CCC(C)c1ccc(-c2[c-]cccc2)nc1.CCC(C)c1ccc(-c2ccccn2)c(O)c1.CCC(C)c1cnn(-c2[c-]cccc2)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(-c2cc(CC(C)C)ccn2)c1.[Ir].[Ir].[Ir].[Ir].[Rh]
InChIInChI=1S/C16H15N2.C16H18N.C15H14F2N.C15H17NO.C15H16N.C13H15N2.C6H5NO2.4Ir.Rh/c1-12(2)9-13-7-8-18-16(10-13)14-5-4-6-15(11-14)17-3;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;1-3-10(2)14-12(16)8-7-11(15(14)17)13-6-4-5-9-18-13;1-3-11(2)12-7-8-13(15(17)10-12)14-6-4-5-9-16-14;1-3-12(2)14-9-10-15(16-11-14)13-7-5-4-6-8-13;1-3-11(2)12-9-14-15(10-12)13-7-5-4-6-8-13;8-6(9)5-3-1-2-4-7-5;;;;;/h4,6-8,10-12H,9H2,1-2H3;4-7,9-11H,12H2,1-3H3;4-6,8-10H,3H2,1-2H3;4-11,17H,3H2,1-2H3;4-7,9-12H,3H2,1-2H3;4-7,9-11H,3H2,1-2H3;1-4H,(H,8,9);;;;;/q3*-1;;2*-1;;;;;;
InChIKeyIWJHJBCGXVZBJR-UHFFFAOYSA-N
XLogP24.76
TPSA157.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms115
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002337.69
LogP ≤ 524.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium?
The IUPAC name of 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium (CID 158360027) is 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium?
The canonical SMILES for 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium is CC(C)(C)Cc1ccnc(-c2[c-]cccc2)c1.CCC(C)c1c(F)c[c-]c(-c2ccccn2)c1F.CCC(C)c1ccc(-c2[c-]cccc2)nc1.CCC(C)c1ccc(-c2ccccn2)c(O)c1.CCC(C)c1cnn(-c2[c-]cccc2)c1.O=C(O)c1ccccn1.[C-]#[N+]c1cc[c-]c(-c2cc(CC(C)C)ccn2)c1.[Ir].[Ir].[Ir].[Ir].[Rh].
What is the InChIKey of 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium?
The InChIKey is IWJHJBCGXVZBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2.C16H18N.C15H14F2N.C15H17NO.C15H16N.C13H15N2.C6H5NO2.4Ir.Rh/c1-12(2)9-13-7-8-18-16(10-13)14-5-4-6-15(11-14)17-3;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;1-3-10(2)14-12(16)8-7-11(15(14)17)13-6-4-5-9-18-13;1-3-11(2)12-7-8-13(15(17)10-12)14-6-4-5-9-16-14;1-3-12(2)14-9-10-15(16-11-14)13-7-5-4-6-8-13;1-3-11(2)12-9-14-15(10-12)13-7-5-4-6-8-13;8-6(9)5-3-1-2-4-7-5;;;;;/h4,6-8,10-12H,9H2,1-2H3;4-7,9-11H,12H2,1-3H3;4-6,8-10H,3H2,1-2H3;4-11,17H,3H2,1-2H3;4-7,9-12H,3H2,1-2H3;4-7,9-11H,3H2,1-2H3;1-4H,(H,8,9);;;;;/q3*-1;;2*-1;;;;;;.
What are the key properties of 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium?
2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium has a molecular weight of 2337.69 g/mol, XLogP of 24.76, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-2,4-difluorobenzene-6-id-1-yl)pyridine;4-butan-2-yl-1-phenylpyrazole;5-butan-2-yl-2-phenylpyridine;5-butan-2-yl-2-pyridin-2-ylphenol;4-(2,2-dimethylpropyl)-2-phenylpyridine;tetrakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;pyridine-2-carboxylic acid;rhodium is sourced from PubChem (CID 158360027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).