carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene

C41H40Ir2N2-4 — CID 162045082

IUPACcarbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[CH3-].[CH3-].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H18.2C11H8N.2CH3.2Ir/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-10H,1-4H3;2*1-6,8-9H;2*1H3;;/q;4*-1;;
InChIKeyFQXLXYNRPYTUQG-UHFFFAOYSA-N
MW945.22 g/mol
LogP10.60
Rot. Bonds2

About carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene

carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene (PubChem CID 162045082) has the molecular formula C41H40Ir2N2-4 and a molecular weight of 945.22 g/mol. Its IUPAC name is carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Namecarbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
PubChem CID162045082
Molecular FormulaC41H40Ir2N2-4
Molecular Weight945.22 g/mol
Exact Mass946.25
IUPAC Namecarbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[CH3-].[CH3-].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H18.2C11H8N.2CH3.2Ir/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-10H,1-4H3;2*1-6,8-9H;2*1H3;;/q;4*-1;;
InChIKeyFQXLXYNRPYTUQG-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 510.60
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

2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
CID 159558057
CID 159558057
iridium;tris(2-phenylpyridine)
CID 23386734
2-[3-(9,9-dimethylfluoren-2-yl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]benzene-6-id-1-yl]pyridine);bis(2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]pyridine);pentakis(iridium);tris(2-methyl-6-phenylpyridine);bis(2-phenylpyridine)
CID 157452310
(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
CID 166018702
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-diol;iridium;2-phenylpyridine
CID 58713545
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;2-phenylpyridine;5,5,7,7-tetramethyl-3-phenyl-6H-cyclopenta[c]pyridine
CID 140677107
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene?
The IUPAC name of carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene (CID 162045082) is carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene.
What is the SMILES notation for carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene?
The canonical SMILES for carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[CH3-].[CH3-].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene?
The InChIKey is FQXLXYNRPYTUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.2C11H8N.2CH3.2Ir/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-10H,1-4H3;2*1-6,8-9H;2*1H3;;/q;4*-1;;.
What are the key properties of carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene?
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene has a molecular weight of 945.22 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 162045082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).