iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole

C15H12IrN3- — CID 140582460

IUPACiridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1ccccc1-n1ncnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C15H12N3.Ir/c1-12-7-5-6-10-14(12)18-15(16-11-17-18)13-8-3-2-4-9-13;/h2-8,10-11H,1H3;/q-1;
InChIKeyDVCIVFSYXURFNG-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.04
Rot. Bonds2

About iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole

iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole (PubChem CID 140582460) has the molecular formula C15H12IrN3- and a molecular weight of 426.50 g/mol. Its IUPAC name is iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Nameiridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
PubChem CID140582460
Molecular FormulaC15H12IrN3-
Molecular Weight426.50 g/mol
Exact Mass427.07
IUPAC Nameiridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1ccccc1-n1ncnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C15H12N3.Ir/c1-12-7-5-6-10-14(12)18-15(16-11-17-18)13-8-3-2-4-9-13;/h2-8,10-11H,1H3;/q-1;
InChIKeyDVCIVFSYXURFNG-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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iridium;phenylbenzene
CID 58599975
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
bis(5-(2,6-dimethylphenyl)-1-methyl-2-phenylimidazole);platinum(2+)
CID 59661679
3-chloro-5-phenyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazole;iridium
CID 155646291
iridium;1-(3-methylphenyl)-5-phenyltetrazole
CID 59661501
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
2,6-dimethyl-3-[3-(2-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine;iridium
CID 161210926
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
CID 155613312

Frequently Asked Questions

What is the IUPAC name of iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole (CID 140582460) is iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole is Cc1ccccc1-n1ncnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is DVCIVFSYXURFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3.Ir/c1-12-7-5-6-10-14(12)18-15(16-11-17-18)13-8-3-2-4-9-13;/h2-8,10-11H,1H3;/q-1;.
What are the key properties of iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole?
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 426.50 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 140582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).