dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine

C28H22Cl2IrN — CID 58793209

IUPACdichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
SMILESCc1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(C)ccc1-2.Cl[Ir+]Cl
InChIInChI=1S/C28H22N.2ClH.Ir/c1-18-6-10-23-24-11-7-19(2)14-26(24)28(25(23)13-18)16-21-9-8-20(15-22(21)17-28)27-5-3-4-12-29-27;;;/h3-7,9-15H,16-17H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyKSBWSCDICUQLBC-UHFFFAOYSA-L
MW635.61 g/mol
LogP7.61
Rot. Bonds1

About dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine

dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine (PubChem CID 58793209) has the molecular formula C28H22Cl2IrN and a molecular weight of 635.61 g/mol. Its IUPAC name is dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine.

Molecular Properties

Compound Namedichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
PubChem CID58793209
Molecular FormulaC28H22Cl2IrN
Molecular Weight635.61 g/mol
Exact Mass635.08
IUPAC Namedichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
SMILESCc1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(C)ccc1-2.Cl[Ir+]Cl
InChIInChI=1S/C28H22N.2ClH.Ir/c1-18-6-10-23-24-11-7-19(2)14-26(24)28(25(23)13-18)16-21-9-8-20(15-22(21)17-28)27-5-3-4-12-29-27;;;/h3-7,9-15H,16-17H2,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyKSBWSCDICUQLBC-UHFFFAOYSA-L
XLogP7.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.61
LogP ≤ 57.61
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

iridium;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793195
iridium;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793250
(Z)-4-hydroxypent-3-en-2-one;iridium;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793146
iridium;2-phenylpyridine;2-phenylpyridine;2-N',2-N',7-N',7-N'-tetraphenyl-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2',7'-diamine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 161283533
2-(5',5'-dimethyl-2',8'-dinaphthalen-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,10'-benzo[b][1]benzosiline]-5-yl)pyridine;iridium
CID 58793115
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
9-[2-[4-[7'-[4-(2-carbazol-9-ylethyl)phenyl]-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl]phenyl]ethyl]carbazole;iridium;2-phenylpyridine
CID 58793057
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium
CID 58792991
3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
CID 163782236
iridium;9-[4-[7'-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793028

Frequently Asked Questions

What is the IUPAC name of dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine?
The IUPAC name of dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine (CID 58793209) is dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine.
What is the SMILES notation for dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine?
The canonical SMILES for dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine is Cc1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(C)ccc1-2.Cl[Ir+]Cl.
What is the InChIKey of dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine?
The InChIKey is KSBWSCDICUQLBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H22N.2ClH.Ir/c1-18-6-10-23-24-11-7-19(2)14-26(24)28(25(23)13-18)16-21-9-8-20(15-22(21)17-28)27-5-3-4-12-29-27;;;/h3-7,9-15H,16-17H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine?
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine has a molecular weight of 635.61 g/mol, XLogP of 7.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine is sourced from PubChem (CID 58793209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).