2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium

C26H19IrN6- — CID 58261624

IUPAC2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
SMILESCc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.[Ir]
InChIInChI=1S/C26H19N6.Ir/c1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;/h3-6,8-16H,1-2H3;/q-1;
InChIKeyCKIDYDIFVCXZFT-UHFFFAOYSA-N
MW607.70 g/mol
LogP5.14
Rot. Bonds4

About 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium

2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium (PubChem CID 58261624) has the molecular formula C26H19IrN6- and a molecular weight of 607.70 g/mol. Its IUPAC name is 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium.

Molecular Properties

Compound Name2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
PubChem CID58261624
Molecular FormulaC26H19IrN6-
Molecular Weight607.70 g/mol
Exact Mass608.13
IUPAC Name2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
SMILESCc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.[Ir]
InChIInChI=1S/C26H19N6.Ir/c1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;/h3-6,8-16H,1-2H3;/q-1;
InChIKeyCKIDYDIFVCXZFT-UHFFFAOYSA-N
XLogP5.14
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
5-tert-butyl-2-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58261681
2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156326
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
iridium;4-(5-methyl-2-pyridinyl)benzene-5-ide-1,2,3-tricarbonitrile;5-phenyl-2-phenylpyridine
CID 168823333
iridium;5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506604
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
CID 155602228

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium?
The IUPAC name of 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium (CID 58261624) is 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium.
What is the SMILES notation for 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium?
The canonical SMILES for 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium is Cc1ccc(-c2nc(-c3ccc(-c4[c-]cccc4)nc3)nc(-c3ccc(C)cn3)n2)nc1.[Ir].
What is the InChIKey of 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium?
The InChIKey is CKIDYDIFVCXZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N6.Ir/c1-17-8-11-22(27-14-17)25-30-24(31-26(32-25)23-12-9-18(2)15-28-23)20-10-13-21(29-16-20)19-6-4-3-5-7-19;/h3-6,8-16H,1-2H3;/q-1;.
What are the key properties of 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium?
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium has a molecular weight of 607.70 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium is sourced from PubChem (CID 58261624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).