2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium

C37H28F2IrN2-2 — CID 155602228

IUPAC2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc(-c3cc(F)cc(F)c3)cc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C19H16N.C18H12F2N.Ir/c1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;1-12-2-7-18(21-11-12)14-5-3-13(4-6-14)15-8-16(19)10-17(20)9-15;/h3-9,11-13H,1-2H3;2-5,7-11H,1H3;/q2*-1;
InChIKeyCFEUTOHIILROFJ-UHFFFAOYSA-N
MW730.86 g/mol
LogP9.63
Rot. Bonds4

About 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium

2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium (PubChem CID 155602228) has the molecular formula C37H28F2IrN2-2 and a molecular weight of 730.86 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
PubChem CID155602228
Molecular FormulaC37H28F2IrN2-2
Molecular Weight730.86 g/mol
Exact Mass731.19
IUPAC Name2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc(-c3cc(F)cc(F)c3)cc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C19H16N.C18H12F2N.Ir/c1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;1-12-2-7-18(21-11-12)14-5-3-13(4-6-14)15-8-16(19)10-17(20)9-15;/h3-9,11-13H,1-2H3;2-5,7-11H,1H3;/q2*-1;
InChIKeyCFEUTOHIILROFJ-UHFFFAOYSA-N
XLogP9.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.86
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2,6-dimethylphenyl)-2-[4-(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine;iridium
CID 171746784
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
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-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium
CID 153419838
platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
CID 58939495
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
2-[4-[2-(3,5-dimethylphenyl)-3-[4-[5-[2-(3,5-dimethylphenyl)phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;bis(iridium)
CID 153422727
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium?
The IUPAC name of 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium (CID 155602228) is 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium is Cc1ccc(-c2[c-]cc(-c3cc(F)cc(F)c3)cc2)nc1.Cc1cccc(C)c1-c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium?
The InChIKey is CFEUTOHIILROFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.C18H12F2N.Ir/c1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;1-12-2-7-18(21-11-12)14-5-3-13(4-6-14)15-8-16(19)10-17(20)9-15;/h3-9,11-13H,1-2H3;2-5,7-11H,1H3;/q2*-1;.
What are the key properties of 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium?
2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium has a molecular weight of 730.86 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium is sourced from PubChem (CID 155602228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).