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

C50H36IrN3- — CID 58793250

IUPACiridium;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
InChIInChI=1S/C50H36N3.Ir/c1-5-15-39(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;/h1-23,25-33H,34-35H2;/q-1;
InChIKeyCMOQUOCPXYMEKE-UHFFFAOYSA-N
MW871.08 g/mol
LogP12.55
Rot. Bonds7

About 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

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 (PubChem CID 58793250) has the molecular formula C50H36IrN3- and a molecular weight of 871.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameiridium;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 CID58793250
Molecular FormulaC50H36IrN3-
Molecular Weight871.08 g/mol
Exact Mass871.25
IUPAC Nameiridium;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
InChIInChI=1S/C50H36N3.Ir/c1-5-15-39(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;/h1-23,25-33H,34-35H2;/q-1;
InChIKeyCMOQUOCPXYMEKE-UHFFFAOYSA-N
XLogP12.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.08
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-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
(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
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
bis(9,9-diethyl-N,N-bis(4-methoxyphenyl)-7-pyridin-2-yl-6H-fluoren-6-id-2-amine);iridium
CID 139253797
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
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
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043
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-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline
CID 172691530
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is CMOQUOCPXYMEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N3.Ir/c1-5-15-39(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;/h1-23,25-33H,34-35H2;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 871.08 g/mol, XLogP of 12.55, 7 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'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 58793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).