1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium

C19H16IrN5- — CID 155613275

IUPAC1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium
SMILESCc1cccc(C)c1-n1ncnc1-c1nc(-c2ccccc2)c[n-]1.[Ir]
InChIInChI=1S/C19H16N5.Ir/c1-13-7-6-8-14(2)17(13)24-19(21-12-22-24)18-20-11-16(23-18)15-9-4-3-5-10-15;/h3-12H,1-2H3;/q-1;
InChIKeyFREZOTKHXFUYEP-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium

1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium (PubChem CID 155613275) has the molecular formula C19H16IrN5- and a molecular weight of 506.59 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium
PubChem CID155613275
Molecular FormulaC19H16IrN5-
Molecular Weight506.59 g/mol
Exact Mass507.10
IUPAC Name1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium
SMILESCc1cccc(C)c1-n1ncnc1-c1nc(-c2ccccc2)c[n-]1.[Ir]
InChIInChI=1S/C19H16N5.Ir/c1-13-7-6-8-14(2)17(13)24-19(21-12-22-24)18-20-11-16(23-18)15-9-4-3-5-10-15;/h3-12H,1-2H3;/q-1;
InChIKeyFREZOTKHXFUYEP-UHFFFAOYSA-N
XLogP3.57
TPSA57.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
CID 155613266
5-[2-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;5-[2-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;pentakis(iridium);2-methyl-5-[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-6H-1,3-benzoxazol-6-ide
CID 158834413
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510
3,4-bis(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazole
CID 140615503
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
4-(2,3-dimethylphenyl)-6-phenylpyrimidine
CID 140733760
benzene;ethane;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 161288697
2-[5-methyl-3-[3-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491945
5-methyl-2-phenyl-1,6-naphthyridine
CID 91464566

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium (CID 155613275) is 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium is Cc1cccc(C)c1-n1ncnc1-c1nc(-c2ccccc2)c[n-]1.[Ir].
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium?
The InChIKey is FREZOTKHXFUYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N5.Ir/c1-13-7-6-8-14(2)17(13)24-19(21-12-22-24)18-20-11-16(23-18)15-9-4-3-5-10-15;/h3-12H,1-2H3;/q-1;.
What are the key properties of 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium?
1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium has a molecular weight of 506.59 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium is sourced from PubChem (CID 155613275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).