4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine

C93H67F6Ir5N10-5 — CID 159257952

IUPAC4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine
SMILESCc1c(-c2[c-]cccc2)ncnc1-c1ccccc1.Cc1ccc(-c2cc(-c3[c-]cc(C(F)(F)F)cc3)ncn2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Cc1nc(-c2[c-]cccc2)cc(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15N2.C19H14F3N2.C18H12F3N2.2C17H13N2.5Ir/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19;1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-12-2-4-13(5-3-12)16-10-17(23-11-22-16)14-6-8-15(9-7-14)18(19,20)21;1-13-16(14-8-4-2-5-9-14)18-12-19-17(13)15-10-6-3-7-11-15;1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;;;;;/h1-14,16H;3-6,8-11H,1-2H3;2-6,8-11H,1H3;2*2-10,12H,1H3;;;;;/q5*-1;;;;;
InChIKeyIQASBCXMCOMLHA-UHFFFAOYSA-N
MW2399.70 g/mol
LogP23.29
Rot. Bonds11

About 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine

4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine (PubChem CID 159257952) has the molecular formula C93H67F6Ir5N10-5 and a molecular weight of 2399.70 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine
PubChem CID159257952
Molecular FormulaC93H67F6Ir5N10-5
Molecular Weight2399.70 g/mol
Exact Mass2402.36
IUPAC Name4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine
SMILESCc1c(-c2[c-]cccc2)ncnc1-c1ccccc1.Cc1ccc(-c2cc(-c3[c-]cc(C(F)(F)F)cc3)ncn2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Cc1nc(-c2[c-]cccc2)cc(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15N2.C19H14F3N2.C18H12F3N2.2C17H13N2.5Ir/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19;1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-12-2-4-13(5-3-12)16-10-17(23-11-22-16)14-6-8-15(9-7-14)18(19,20)21;1-13-16(14-8-4-2-5-9-14)18-12-19-17(13)15-10-6-3-7-11-15;1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;;;;;/h1-14,16H;3-6,8-11H,1-2H3;2-6,8-11H,1H3;2*2-10,12H,1H3;;;;;/q5*-1;;;;;
InChIKeyIQASBCXMCOMLHA-UHFFFAOYSA-N
XLogP23.29
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002399.70
LogP ≤ 523.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine?
The IUPAC name of 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine (CID 159257952) is 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine?
The canonical SMILES for 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine is Cc1c(-c2[c-]cccc2)ncnc1-c1ccccc1.Cc1ccc(-c2cc(-c3[c-]cc(C(F)(F)F)cc3)ncn2)cc1.Cc1cccc(C)c1-c1cc(-c2[c-]cc(C(F)(F)F)cc2)ncn1.Cc1nc(-c2[c-]cccc2)cc(-c2ccccc2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ncnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine?
The InChIKey is IQASBCXMCOMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2.C19H14F3N2.C18H12F3N2.2C17H13N2.5Ir/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19;1-12-4-3-5-13(2)18(12)17-10-16(23-11-24-17)14-6-8-15(9-7-14)19(20,21)22;1-12-2-4-13(5-3-12)16-10-17(23-11-22-16)14-6-8-15(9-7-14)18(19,20)21;1-13-16(14-8-4-2-5-9-14)18-12-19-17(13)15-10-6-3-7-11-15;1-13-18-16(14-8-4-2-5-9-14)12-17(19-13)15-10-6-3-7-11-15;;;;;/h1-14,16H;3-6,8-11H,1-2H3;2-6,8-11H,1H3;2*2-10,12H,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine?
4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine has a molecular weight of 2399.70 g/mol, XLogP of 23.29, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;5,6-diphenyl-4-phenylpyrimidine;pentakis(iridium);2-methyl-6-phenyl-4-phenylpyrimidine;5-methyl-6-phenyl-4-phenylpyrimidine;4-(4-methylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine is sourced from PubChem (CID 159257952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).