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

C122H90IrN8-2 — CID 161283533

IUPACiridium;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
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(Cc4ccc(-c5ccccn5)cc4C2)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C50H37N3.C50H36N3.C11H9N.C11H8N.Ir/c2*1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-33H,34-35H2;1-23,25-33H,34-35H2;1-9H;1-6,8-9H;/q;-1;;-1;
InChIKeyZCUWXTDWXUMKSQ-UHFFFAOYSA-N
MW1860.34 g/mol
LogP30.60
Rot. Bonds16

About 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

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 (PubChem CID 161283533) has the molecular formula C122H90IrN8-2 and a molecular weight of 1860.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameiridium;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
PubChem CID161283533
Molecular FormulaC122H90IrN8-2
Molecular Weight1860.34 g/mol
Exact Mass1859.69
IUPAC Nameiridium;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
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(Cc4ccc(-c5ccccn5)cc4C2)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C50H37N3.C50H36N3.C11H9N.C11H8N.Ir/c2*1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-33H,34-35H2;1-23,25-33H,34-35H2;1-9H;1-6,8-9H;/q;-1;;-1;
InChIKeyZCUWXTDWXUMKSQ-UHFFFAOYSA-N
XLogP30.60
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001860.34
LogP ≤ 530.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylphenyl)phenyl]aniline;iridium;2-phenylpyridine
CID 58225145
(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-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
CID 157108180
CID 159558057
CID 159558057
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043
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
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(Cc4ccc(-c5ccccn5)cc4C2)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is ZCUWXTDWXUMKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3.C50H36N3.C11H9N.C11H8N.Ir/c2*1-5-15-39(16-6-1)52(40-17-7-2-8-18-40)43-26-28-45-46-29-27-44(53(41-19-9-3-10-20-41)42-21-11-4-12-22-42)33-48(46)50(47(45)32-43)34-37-25-24-36(31-38(37)35-50)49-23-13-14-30-51-49;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-33H,34-35H2;1-23,25-33H,34-35H2;1-9H;1-6,8-9H;/q;-1;;-1;.
What are the key properties of 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?
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 has a molecular weight of 1860.34 g/mol, XLogP of 30.60, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161283533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).