5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium

C42H30IrN2O-2 — CID 162707093

IUPAC5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium
SMILESCc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccc(Cc2ccccc2)cn1
InChIInChI=1S/C24H16NO.C18H14N.Ir/c1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;/h2-11,13-15H,1H3;1-9,11-12,14H,13H2;/q2*-1;
InChIKeyBSULPLSRGRQCHT-UHFFFAOYSA-N
MW770.93 g/mol
LogP10.56
Rot. Bonds5

About 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium

5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium (PubChem CID 162707093) has the molecular formula C42H30IrN2O-2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium.

Molecular Properties

Compound Name5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium
PubChem CID162707093
Molecular FormulaC42H30IrN2O-2
Molecular Weight770.93 g/mol
Exact Mass771.20
IUPAC Name5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium
SMILESCc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccc(Cc2ccccc2)cn1
InChIInChI=1S/C24H16NO.C18H14N.Ir/c1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;/h2-11,13-15H,1H3;1-9,11-12,14H,13H2;/q2*-1;
InChIKeyBSULPLSRGRQCHT-UHFFFAOYSA-N
XLogP10.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 510.56
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

4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708620
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162707719
4-benzyl-5-methyl-2-phenylpyridine;iridium;5-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 162710274
2-(1-benzyl-3H-dibenzofuran-3-id-4-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162707837
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 156621826
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-(5-phenyl-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 171051737
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156621854
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-(3H-dibenzofuran-3-id-4-yl)-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 176729019
4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)pyridine;4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;octakis(4-benzyl-2-phenylpyridine);4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methyl-5-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;octakis(iridium)
CID 163533134
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578810

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium?
The IUPAC name of 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium (CID 162707093) is 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium.
What is the SMILES notation for 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium?
The canonical SMILES for 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium is Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccc(Cc2ccccc2)cn1.
What is the InChIKey of 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium?
The InChIKey is BSULPLSRGRQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C18H14N.Ir/c1-16-15-25-22(14-21(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-3-7-15(8-4-1)13-16-11-12-18(19-14-16)17-9-5-2-6-10-17;/h2-11,13-15H,1H3;1-9,11-12,14H,13H2;/q2*-1;.
What are the key properties of 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium?
5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium has a molecular weight of 770.93 g/mol, XLogP of 10.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium is sourced from PubChem (CID 162707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).