2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium

C18H13FIrN- — CID 58239769

IUPAC2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2)nc1.[Ir]
InChIInChI=1S/C18H13FN.Ir/c1-13-7-10-18(20-12-13)15-8-9-17(19)16(11-15)14-5-3-2-4-6-14;/h2-7,9-12H,1H3;/q-1;
InChIKeyJDRPWRRAOWKVKT-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium

2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium (PubChem CID 58239769) has the molecular formula C18H13FIrN- and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium.

Molecular Properties

Compound Name2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium
PubChem CID58239769
Molecular FormulaC18H13FIrN-
Molecular Weight454.52 g/mol
Exact Mass455.07
IUPAC Name2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium
SMILESCc1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2)nc1.[Ir]
InChIInChI=1S/C18H13FN.Ir/c1-13-7-10-18(20-12-13)15-8-9-17(19)16(11-15)14-5-3-2-4-6-14;/h2-7,9-12H,1H3;/q-1;
InChIKeyJDRPWRRAOWKVKT-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 158946315
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
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-(3-benzyl-4-methylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162709141
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-6-phenylpyridine;carbanide;iridium
CID 166046651
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
CID 162486024
CID 162486024
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium(3+)
CID 153458228
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 58239768
iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide
CID 59500281
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium?
The IUPAC name of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium (CID 58239769) is 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium.
What is the SMILES notation for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium?
The canonical SMILES for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium is Cc1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2)nc1.[Ir].
What is the InChIKey of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium?
The InChIKey is JDRPWRRAOWKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN.Ir/c1-13-7-10-18(20-12-13)15-8-9-17(19)16(11-15)14-5-3-2-4-6-14;/h2-7,9-12H,1H3;/q-1;.
What are the key properties of 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium?
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium has a molecular weight of 454.52 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;iridium is sourced from PubChem (CID 58239769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).