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

C30H28IrN3- — CID 58793195

IUPACiridium;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
SMILESCN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.[Ir]
InChIInChI=1S/C30H28N3.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;/h5-7,9-17H,18-19H2,1-4H3;/q-1;
InChIKeyLWIKVWWRZGSQBR-UHFFFAOYSA-N
MW622.79 g/mol
LogP5.74
Rot. Bonds3

About 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

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 (PubChem CID 58793195) has the molecular formula C30H28IrN3- and a molecular weight of 622.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameiridium;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
PubChem CID58793195
Molecular FormulaC30H28IrN3-
Molecular Weight622.79 g/mol
Exact Mass623.19
IUPAC Nameiridium;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
SMILESCN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.[Ir]
InChIInChI=1S/C30H28N3.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;/h5-7,9-17H,18-19H2,1-4H3;/q-1;
InChIKeyLWIKVWWRZGSQBR-UHFFFAOYSA-N
XLogP5.74
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.79
LogP ≤ 55.74
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

(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-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
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
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
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
bis(9,9-diethyl-N,N-bis(4-methoxyphenyl)-7-pyridin-2-yl-6H-fluoren-6-id-2-amine);iridium
CID 139253797
N,N-dimethyl-4-phenyl-3-pyridin-2-ylaniline
CID 139252241
2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium
CID 58792991
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
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.[Ir].
What is the InChIKey of 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?
The InChIKey is LWIKVWWRZGSQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N3.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;/h5-7,9-17H,18-19H2,1-4H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 622.79 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58793195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).