iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)

C24H18IrN4O4-2 — CID 175287242

IUPACiridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
SMILESCc1cc(-c2ccccc2)nc(C(=O)[O-])n1.Cc1cc(-c2ccccc2)nc(C(=O)[O-])n1.[Ir]
InChIInChI=1S/2C12H10N2O2.Ir/c2*1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16;/h2*2-7H,1H3,(H,15,16);/p-2
InChIKeyUIGIBUDDWVOXMQ-UHFFFAOYSA-L
MW618.65 g/mol
LogP1.63
Rot. Bonds4

About iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)

iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate) (PubChem CID 175287242) has the molecular formula C24H18IrN4O4-2 and a molecular weight of 618.65 g/mol. Its IUPAC name is iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate).

Molecular Properties

Compound Nameiridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
PubChem CID175287242
Molecular FormulaC24H18IrN4O4-2
Molecular Weight618.65 g/mol
Exact Mass619.10
IUPAC Nameiridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
SMILESCc1cc(-c2ccccc2)nc(C(=O)[O-])n1.Cc1cc(-c2ccccc2)nc(C(=O)[O-])n1.[Ir]
InChIInChI=1S/2C12H10N2O2.Ir/c2*1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16;/h2*2-7H,1H3,(H,15,16);/p-2
InChIKeyUIGIBUDDWVOXMQ-UHFFFAOYSA-L
XLogP1.63
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.65
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 3059947
2-methyl-4,6-diphenylpyridine
CID 618669
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methyl-6-phenylpyrimidine
CID 137386271
N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
CID 164614577
4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
CID 138967547
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867

Frequently Asked Questions

What is the IUPAC name of iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)?
The IUPAC name of iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate) (CID 175287242) is iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate).
What is the SMILES notation for iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)?
The canonical SMILES for iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate) is Cc1cc(-c2ccccc2)nc(C(=O)[O-])n1.Cc1cc(-c2ccccc2)nc(C(=O)[O-])n1.[Ir].
What is the InChIKey of iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)?
The InChIKey is UIGIBUDDWVOXMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10N2O2.Ir/c2*1-8-7-10(9-5-3-2-4-6-9)14-11(13-8)12(15)16;/h2*2-7H,1H3,(H,15,16);/p-2.
What are the key properties of iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)?
iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate) has a molecular weight of 618.65 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate) is sourced from PubChem (CID 175287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).