iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine

C25H18IrN2O-2 — CID 140788908

IUPACiridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine
SMILESCc1c[c-]c(-c2nccc3occc23)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H10NO.C11H8N.Ir/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-9H,1H3;1-6,8-9H;/q2*-1;
InChIKeyAUNHBGMUBHTZEN-UHFFFAOYSA-N
MW554.65 g/mol
LogP6.15
Rot. Bonds2

About iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine

iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine (PubChem CID 140788908) has the molecular formula C25H18IrN2O-2 and a molecular weight of 554.65 g/mol. Its IUPAC name is iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine
PubChem CID140788908
Molecular FormulaC25H18IrN2O-2
Molecular Weight554.65 g/mol
Exact Mass555.11
IUPAC Nameiridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine
SMILESCc1c[c-]c(-c2nccc3occc23)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H10NO.C11H8N.Ir/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-9H,1H3;1-6,8-9H;/q2*-1;
InChIKeyAUNHBGMUBHTZEN-UHFFFAOYSA-N
XLogP6.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 56.15
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-(4-tert-butylbenzene-6-id-1-yl)furo[3,2-c]pyridine;iridium;2-methyl-6-phenylpyridine
CID 140788907
iridium;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylbenzo[f]isoquinoline
CID 59470354
iridium;tris(2-phenylpyridine)
CID 23386734
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)isoquinoline;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);2-(4-methylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine
CID 160791944
2-(4-methylbenzene-6-id-1-yl)pyridine;9-phenyl-1H-carbazol-1-ide;platinum
CID 171732600
bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
CID 159880437
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium;2-(4-methylbenzene-6-id-1-yl)pyridine
CID 59307411
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;4-methyl-3-phenyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine
CID 168822117

Frequently Asked Questions

What is the IUPAC name of iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine?
The IUPAC name of iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine (CID 140788908) is iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine.
What is the SMILES notation for iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine?
The canonical SMILES for iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine is Cc1c[c-]c(-c2nccc3occc23)cc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine?
The InChIKey is AUNHBGMUBHTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NO.C11H8N.Ir/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-9H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine?
iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine has a molecular weight of 554.65 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-(4-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;2-phenylpyridine is sourced from PubChem (CID 140788908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).