6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine

C25H19BrIrN2-2 — CID 59757340

IUPAC6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine
SMILESCC1(C)c2cccnc2-c2[c-]ccc(Br)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H11BrN.C11H8N.Ir/c1-14(2)10-6-4-8-16-13(10)9-5-3-7-11(15)12(9)14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-4,6-8H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyFFIHSYKREBZCSJ-UHFFFAOYSA-N
MW619.56 g/mol
LogP6.50
Rot. Bonds1

About 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine

6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine (PubChem CID 59757340) has the molecular formula C25H19BrIrN2-2 and a molecular weight of 619.56 g/mol. Its IUPAC name is 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine.

Molecular Properties

Compound Name6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine
PubChem CID59757340
Molecular FormulaC25H19BrIrN2-2
Molecular Weight619.56 g/mol
Exact Mass619.04
IUPAC Name6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine
SMILESCC1(C)c2cccnc2-c2[c-]ccc(Br)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H11BrN.C11H8N.Ir/c1-14(2)10-6-4-8-16-13(10)9-5-3-7-11(15)12(9)14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-4,6-8H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyFFIHSYKREBZCSJ-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.56
LogP ≤ 56.50
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

CID 164734122
CID 164734122
CID 59865388
CID 59865388
iridium;tris(2-phenylpyridine)
CID 23386734
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CID 168726074
CID 59865384
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CID 54724512
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
chlorozinc(1+);2-phenylpyridine
CID 59773311
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine?
The IUPAC name of 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine (CID 59757340) is 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine.
What is the SMILES notation for 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine?
The canonical SMILES for 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine is CC1(C)c2cccnc2-c2[c-]ccc(Br)c21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine?
The InChIKey is FFIHSYKREBZCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN.C11H8N.Ir/c1-14(2)10-6-4-8-16-13(10)9-5-3-7-11(15)12(9)14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-4,6-8H,1-2H3;1-6,8-9H;/q2*-1;.
What are the key properties of 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine?
6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine has a molecular weight of 619.56 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;iridium;2-phenylpyridine is sourced from PubChem (CID 59757340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).