9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)

C142H94Ir2N4-2 — CID 159320007

IUPAC9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
SMILES[Ir].[Ir].[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c2)cc1-c1ccccn1.[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1-c1ccccn1
InChIInChI=1S/C83H54N3.C59H40N.2Ir/c1-2-17-57-49-82(48-56(57)16-1)73-44-53(31-35-65(73)67-37-33-63(46-75(67)82)85-78-27-9-5-22-69(78)70-23-6-10-28-79(70)85)61-41-60(52-20-15-21-55(40-52)77-26-13-14-39-84-77)42-62(43-61)54-32-36-66-68-38-34-64(86-80-29-11-7-24-71(80)72-25-8-12-30-81(72)86)47-76(68)83(74(66)45-54)50-58-18-3-4-19-59(58)51-83;1-2-13-43-35-58(34-42(43)12-1)53-20-7-5-18-49(53)51-25-23-39(32-55(51)58)47-29-46(38-16-11-17-41(28-38)57-22-9-10-27-60-57)30-48(31-47)40-24-26-52-50-19-6-8-21-54(50)59(56(52)33-40)36-44-14-3-4-15-45(44)37-59;;/h1-20,22-47H,48-51H2;1-16,18-33H,34-37H2;;/q2*-1;;
InChIKeyUTTBERRRMUSVSH-UHFFFAOYSA-N
MW2240.78 g/mol
LogP33.55
Rot. Bonds10

About 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)

9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) (PubChem CID 159320007) has the molecular formula C142H94Ir2N4-2 and a molecular weight of 2240.78 g/mol. Its IUPAC name is 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium).

Molecular Properties

Compound Name9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
PubChem CID159320007
Molecular FormulaC142H94Ir2N4-2
Molecular Weight2240.78 g/mol
Exact Mass2240.67
IUPAC Name9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
SMILES[Ir].[Ir].[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c2)cc1-c1ccccn1.[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1-c1ccccn1
InChIInChI=1S/C83H54N3.C59H40N.2Ir/c1-2-17-57-49-82(48-56(57)16-1)73-44-53(31-35-65(73)67-37-33-63(46-75(67)82)85-78-27-9-5-22-69(78)70-23-6-10-28-79(70)85)61-41-60(52-20-15-21-55(40-52)77-26-13-14-39-84-77)42-62(43-61)54-32-36-66-68-38-34-64(86-80-29-11-7-24-71(80)72-25-8-12-30-81(72)86)47-76(68)83(74(66)45-54)50-58-18-3-4-19-59(58)51-83;1-2-13-43-35-58(34-42(43)12-1)53-20-7-5-18-49(53)51-25-23-39(32-55(51)58)47-29-46(38-16-11-17-41(28-38)57-22-9-10-27-60-57)30-48(31-47)40-24-26-52-50-19-6-8-21-54(50)59(56(52)33-40)36-44-14-3-4-15-45(44)37-59;;/h1-20,22-47H,48-51H2;1-16,18-33H,34-37H2;;/q2*-1;;
InChIKeyUTTBERRRMUSVSH-UHFFFAOYSA-N
XLogP33.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002240.78
LogP ≤ 533.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) with MolForge

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Related Compounds

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
iridium;9-[4-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-3,6-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)carbazole
CID 58793207
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
iridium;9-[4-[7'-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793277
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
CID 59219584
9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793287
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
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-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137

Frequently Asked Questions

What is the IUPAC name of 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?
The IUPAC name of 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) (CID 159320007) is 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium).
What is the SMILES notation for 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?
The canonical SMILES for 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) is [Ir].[Ir].[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c2)cc1-c1ccccn1.[c-]1ccc(-c2cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cc(-c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1-c1ccccn1.
What is the InChIKey of 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?
The InChIKey is UTTBERRRMUSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H54N3.C59H40N.2Ir/c1-2-17-57-49-82(48-56(57)16-1)73-44-53(31-35-65(73)67-37-33-63(46-75(67)82)85-78-27-9-5-22-69(78)70-23-6-10-28-79(70)85)61-41-60(52-20-15-21-55(40-52)77-26-13-14-39-84-77)42-62(43-61)54-32-36-66-68-38-34-64(86-80-29-11-7-24-71(80)72-25-8-12-30-81(72)86)47-76(68)83(74(66)45-54)50-58-18-3-4-19-59(58)51-83;1-2-13-43-35-58(34-42(43)12-1)53-20-7-5-18-49(53)51-25-23-39(32-55(51)58)47-29-46(38-16-11-17-41(28-38)57-22-9-10-27-60-57)30-48(31-47)40-24-26-52-50-19-6-8-21-54(50)59(56(52)33-40)36-44-14-3-4-15-45(44)37-59;;/h1-20,22-47H,48-51H2;1-16,18-33H,34-37H2;;/q2*-1;;.
What are the key properties of 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?
9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) has a molecular weight of 2240.78 g/mol, XLogP of 33.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) is sourced from PubChem (CID 159320007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).