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

C77H56IrN4-2 — CID 58793057

IUPAC9-[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
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)cc21.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C66H48N3.C11H8N.Ir/c1-5-16-62-55(11-1)56-12-2-6-17-63(56)68(62)37-34-44-20-24-46(25-21-44)48-30-32-53-54-33-31-49(41-60(54)66(59(53)40-48)42-51-29-28-50(39-52(51)43-66)61-15-9-10-36-67-61)47-26-22-45(23-27-47)35-38-69-64-18-7-3-13-57(64)58-14-4-8-19-65(58)69;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-27,29-33,36,39-41H,34-35,37-38,42-43H2;1-6,8-9H;/q2*-1;
InChIKeyNVRJCZCQQXMUPB-UHFFFAOYSA-N
MW1229.54 g/mol
LogP18.20
Rot. Bonds10

About 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

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 (PubChem CID 58793057) has the molecular formula C77H56IrN4-2 and a molecular weight of 1229.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID58793057
Molecular FormulaC77H56IrN4-2
Molecular Weight1229.54 g/mol
Exact Mass1229.41
IUPAC Name9-[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
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)cc21.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C66H48N3.C11H8N.Ir/c1-5-16-62-55(11-1)56-12-2-6-17-63(56)68(62)37-34-44-20-24-46(25-21-44)48-30-32-53-54-33-31-49(41-60(54)66(59(53)40-48)42-51-29-28-50(39-52(51)43-66)61-15-9-10-36-67-61)47-26-22-45(23-27-47)35-38-69-64-18-7-3-13-57(64)58-14-4-8-19-65(58)69;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-27,29-33,36,39-41H,34-35,37-38,42-43H2;1-6,8-9H;/q2*-1;
InChIKeyNVRJCZCQQXMUPB-UHFFFAOYSA-N
XLogP18.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.54
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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;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-[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
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-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
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
iridium(3+);9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500152
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(CCn4c5ccccc5c5ccccc54)cc3)cc21.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 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?
The InChIKey is NVRJCZCQQXMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N3.C11H8N.Ir/c1-5-16-62-55(11-1)56-12-2-6-17-63(56)68(62)37-34-44-20-24-46(25-21-44)48-30-32-53-54-33-31-49(41-60(54)66(59(53)40-48)42-51-29-28-50(39-52(51)43-66)61-15-9-10-36-67-61)47-26-22-45(23-27-47)35-38-69-64-18-7-3-13-57(64)58-14-4-8-19-65(58)69;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-27,29-33,36,39-41H,34-35,37-38,42-43H2;1-6,8-9H;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1229.54 g/mol, XLogP of 18.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58793057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).