5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine

C30H25IrN3-2 — CID 140847642

IUPAC5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine
SMILESCCc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ncccn1
InChIInChI=1S/C16H11N2.C14H14N.Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-17-10-5-11-18-16;1-3-12-10-15-14(9-11(12)2)13-7-5-4-6-8-13;/h1-8,10-12H;4-7,9-10H,3H2,1-2H3;/q2*-1;
InChIKeyUZSFUSIKCZVMNU-UHFFFAOYSA-N
MW619.77 g/mol
LogP7.03
Rot. Bonds4

About 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine

5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine (PubChem CID 140847642) has the molecular formula C30H25IrN3-2 and a molecular weight of 619.77 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine
PubChem CID140847642
Molecular FormulaC30H25IrN3-2
Molecular Weight619.77 g/mol
Exact Mass620.17
IUPAC Name5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine
SMILESCCc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ncccn1
InChIInChI=1S/C16H11N2.C14H14N.Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-17-10-5-11-18-16;1-3-12-10-15-14(9-11(12)2)13-7-5-4-6-8-13;/h1-8,10-12H;4-7,9-10H,3H2,1-2H3;/q2*-1;
InChIKeyUZSFUSIKCZVMNU-UHFFFAOYSA-N
XLogP7.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 57.03
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;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine;2,3,4-trimethyl-6-(4-methylbenzene-6-id-1-yl)pyridine
CID 140847533
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine
CID 140847547
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenyl-4-tetraphenylen-2-ylpyridine
CID 164939579
4-ethyl-5-phenyl-2-phenylpyridine;tris(iridium);4-methyl-5-naphthalen-2-yl-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-methyl-6-phenylpyridine);2-phenylpyridine
CID 160700604
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine?
The IUPAC name of 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine (CID 140847642) is 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine?
The canonical SMILES for 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine is CCc1cnc(-c2[c-]cccc2)cc1C.[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ncccn1.
What is the InChIKey of 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine?
The InChIKey is UZSFUSIKCZVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.C14H14N.Ir/c1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-17-10-5-11-18-16;1-3-12-10-15-14(9-11(12)2)13-7-5-4-6-8-13;/h1-8,10-12H;4-7,9-10H,3H2,1-2H3;/q2*-1;.
What are the key properties of 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine?
5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine has a molecular weight of 619.77 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyrimidine is sourced from PubChem (CID 140847642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).