2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid

C106H99F2Ir6N19O17P4S2-6 — CID 161475107

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid
SMILESCC(C)OP(=O)(O)c1ccccn1.CCOP(=O)(O)c1ncncn1.COP(=O)(O)c1ccncn1.Cc1cc(C)nc(S(=O)(=O)O)n1.Cc1cc[c-]c(Cc2ccccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(O)(c1ccccc1)c1ncccn1.O=S(=O)(O)c1ncncn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C13H12N.C12H10N.C11H6F2N.3C11H8N.C10H9N2O2P.C8H12NO3P.C6H8N2O3S.C5H8N3O3P.C5H7N2O3P.C3H3N3O3S.6Ir/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14-13;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-7(2)12-13(10,11)8-5-3-4-6-9-8;1-4-3-5(2)8-6(7-4)12(9,10)11;1-2-11-12(9,10)5-7-3-6-4-8-5;1-10-11(8,9)5-2-3-6-4-7-5;7-10(8,9)3-5-1-4-2-6-3;;;;;;/h2-5,7-9H,10H2,1H3;1-6,8-9H,10H2;1-4,6-7H;3*1-6,8-9H;1-8H,(H,13,14);3-7H,1-2H3,(H,10,11);3H,1-2H3,(H,9,10,11);3-4H,2H2,1H3,(H,9,10);2-4H,1H3,(H,8,9);1-2H,(H,7,8,9);;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyCUISXFBRERQEOX-UHFFFAOYSA-N
MW3290.40 g/mol
LogP16.84
Rot. Bonds20

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid (PubChem CID 161475107) has the molecular formula C106H99F2Ir6N19O17P4S2-6 and a molecular weight of 3290.40 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid.

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid
PubChem CID161475107
Molecular FormulaC106H99F2Ir6N19O17P4S2-6
Molecular Weight3290.40 g/mol
Exact Mass3293.36
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid
SMILESCC(C)OP(=O)(O)c1ccccn1.CCOP(=O)(O)c1ncncn1.COP(=O)(O)c1ccncn1.Cc1cc(C)nc(S(=O)(=O)O)n1.Cc1cc[c-]c(Cc2ccccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(O)(c1ccccc1)c1ncccn1.O=S(=O)(O)c1ncncn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C13H12N.C12H10N.C11H6F2N.3C11H8N.C10H9N2O2P.C8H12NO3P.C6H8N2O3S.C5H8N3O3P.C5H7N2O3P.C3H3N3O3S.6Ir/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14-13;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-7(2)12-13(10,11)8-5-3-4-6-9-8;1-4-3-5(2)8-6(7-4)12(9,10)11;1-2-11-12(9,10)5-7-3-6-4-8-5;1-10-11(8,9)5-2-3-6-4-7-5;7-10(8,9)3-5-1-4-2-6-3;;;;;;/h2-5,7-9H,10H2,1H3;1-6,8-9H,10H2;1-4,6-7H;3*1-6,8-9H;1-8H,(H,13,14);3-7H,1-2H3,(H,10,11);3H,1-2H3,(H,9,10,11);3-4H,2H2,1H3,(H,9,10);2-4H,1H3,(H,8,9);1-2H,(H,7,8,9);;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyCUISXFBRERQEOX-UHFFFAOYSA-N
XLogP16.84
TPSA530.54 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.40
LogP ≤ 516.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid with MolForge

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Related Compounds

2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid
CID 158855610
Tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);hexakis(iridium);pyridine-2-sulfonic acid;bis(pyrimidine-2-sulfonic acid);pyrimidine-4-sulfonic acid;bis(1,3,5-triazine-2-sulfonic acid)
CID 158939980
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);hexakis(iridium);tetrakis(2-phenylpyridine);bis(pyridine-2-sulfonic acid);pyrimidine-2-sulfonic acid;bis(pyrimidine-4-sulfonic acid);1,3,5-triazine-2-sulfonic acid
CID 160072824

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid (CID 161475107) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid is CC(C)OP(=O)(O)c1ccccn1.CCOP(=O)(O)c1ncncn1.COP(=O)(O)c1ccncn1.Cc1cc(C)nc(S(=O)(=O)O)n1.Cc1cc[c-]c(Cc2ccccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(O)(c1ccccc1)c1ncccn1.O=S(=O)(O)c1ncncn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid?
The InChIKey is CUISXFBRERQEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N.C12H10N.C11H6F2N.3C11H8N.C10H9N2O2P.C8H12NO3P.C6H8N2O3S.C5H8N3O3P.C5H7N2O3P.C3H3N3O3S.6Ir/c1-11-5-4-6-12(9-11)10-13-7-2-3-8-14-13;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-7(2)12-13(10,11)8-5-3-4-6-9-8;1-4-3-5(2)8-6(7-4)12(9,10)11;1-2-11-12(9,10)5-7-3-6-4-8-5;1-10-11(8,9)5-2-3-6-4-7-5;7-10(8,9)3-5-1-4-2-6-3;;;;;;/h2-5,7-9H,10H2,1H3;1-6,8-9H,10H2;1-4,6-7H;3*1-6,8-9H;1-8H,(H,13,14);3-7H,1-2H3,(H,10,11);3H,1-2H3,(H,9,10,11);3-4H,2H2,1H3,(H,9,10);2-4H,1H3,(H,8,9);1-2H,(H,7,8,9);;;;;;/q6*-1;;;;;;;;;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid has a molecular weight of 3290.40 g/mol, XLogP of 16.84, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid is sourced from PubChem (CID 161475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).