iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine

C16H12IrN3- — CID 58261672

IUPACiridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
SMILESCc1ncc(-c2ccc(-c3[c-]cccc3)nc2)cn1.[Ir]
InChIInChI=1S/C16H12N3.Ir/c1-12-17-10-15(11-18-12)14-7-8-16(19-9-14)13-5-3-2-4-6-13;/h2-5,7-11H,1H3;/q-1;
InChIKeyNGRAEVWTOQXLMO-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.31
Rot. Bonds2

About iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine

iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine (PubChem CID 58261672) has the molecular formula C16H12IrN3- and a molecular weight of 438.51 g/mol. Its IUPAC name is iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Nameiridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
PubChem CID58261672
Molecular FormulaC16H12IrN3-
Molecular Weight438.51 g/mol
Exact Mass439.07
IUPAC Nameiridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
SMILESCc1ncc(-c2ccc(-c3[c-]cccc3)nc2)cn1.[Ir]
InChIInChI=1S/C16H12N3.Ir/c1-12-17-10-15(11-18-12)14-7-8-16(19-9-14)13-5-3-2-4-6-13;/h2-5,7-11H,1H3;/q-1;
InChIKeyNGRAEVWTOQXLMO-UHFFFAOYSA-N
XLogP3.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.31
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

iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58421120
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
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624
2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700
5-tert-butyl-2-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58261681
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
4-(4-tert-butylphenyl)-2-chloro-6-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58280757
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
bis(5-ethyl-2-phenylpyridine);iridium;methanol
CID 165162090
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine?
The IUPAC name of iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine (CID 58261672) is iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine?
The canonical SMILES for iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine is Cc1ncc(-c2ccc(-c3[c-]cccc3)nc2)cn1.[Ir].
What is the InChIKey of iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine?
The InChIKey is NGRAEVWTOQXLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N3.Ir/c1-12-17-10-15(11-18-12)14-7-8-16(19-9-14)13-5-3-2-4-6-13;/h2-5,7-11H,1H3;/q-1;.
What are the key properties of iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine?
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine has a molecular weight of 438.51 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 58261672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).