2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium

C37H26IrNSi- — CID 58792991

IUPAC2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)C[Si]1(C2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C37H26NSi.Ir/c1-3-9-26(10-4-1)28-16-18-33-34-19-17-29(27-11-5-2-6-12-27)23-37(34)39(36(33)22-28)24-31-15-14-30(21-32(31)25-39)35-13-7-8-20-38-35;/h1-13,15-23H,24-25H2;/q-1;
InChIKeyQHUMRKDRRBVXRI-UHFFFAOYSA-N
MW704.93 g/mol
LogP7.30
Rot. Bonds3

About 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium

2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium (PubChem CID 58792991) has the molecular formula C37H26IrNSi- and a molecular weight of 704.93 g/mol. Its IUPAC name is 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium
PubChem CID58792991
Molecular FormulaC37H26IrNSi-
Molecular Weight704.93 g/mol
Exact Mass705.15
IUPAC Name2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium
SMILES[Ir].[c-]1cc2c(cc1-c1ccccn1)C[Si]1(C2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C37H26NSi.Ir/c1-3-9-26(10-4-1)28-16-18-33-34-19-17-29(27-11-5-2-6-12-27)23-37(34)39(36(33)22-28)24-31-15-14-30(21-32(31)25-39)35-13-7-8-20-38-35;/h1-13,15-23H,24-25H2;/q-1;
InChIKeyQHUMRKDRRBVXRI-UHFFFAOYSA-N
XLogP7.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.93
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
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-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
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
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
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
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
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

Frequently Asked Questions

What is the IUPAC name of 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium?
The IUPAC name of 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium (CID 58792991) is 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium.
What is the SMILES notation for 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium?
The canonical SMILES for 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium is [Ir].[c-]1cc2c(cc1-c1ccccn1)C[Si]1(C2)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium?
The InChIKey is QHUMRKDRRBVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26NSi.Ir/c1-3-9-26(10-4-1)28-16-18-33-34-19-17-29(27-11-5-2-6-12-27)23-37(34)39(36(33)22-28)24-31-15-14-30(21-32(31)25-39)35-13-7-8-20-38-35;/h1-13,15-23H,24-25H2;/q-1;.
What are the key properties of 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium?
2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium has a molecular weight of 704.93 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',7'-diphenylspiro[3,6-dihydro-1H-2-benzosilol-6-ide-2,5'-benzo[b][1]benzosilole]-5-yl)pyridine;iridium is sourced from PubChem (CID 58792991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).