9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C60H57IrN5OSi-2 — CID 164741937

IUPAC9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)nc2ccncc21.[Ir]
InChIInChI=1S/C42H33N4O.C18H24NSi.Ir/c1-25(2)27-15-11-16-28(26(3)4)40(27)46-37-24-43-23-22-33(37)44-42(46)32-20-21-36(39-31-14-7-10-19-38(31)47-41(32)39)45-34-17-8-5-12-29(34)30-13-6-9-18-35(30)45;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-19,21-26H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLCBIDSYGPGFXNJ-UHFFFAOYSA-N
MW1084.45 g/mol
LogP15.42
Rot. Bonds9

About 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 164741937) has the molecular formula C60H57IrN5OSi-2 and a molecular weight of 1084.45 g/mol. Its IUPAC name is 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID164741937
Molecular FormulaC60H57IrN5OSi-2
Molecular Weight1084.45 g/mol
Exact Mass1084.40
IUPAC Name9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)nc2ccncc21.[Ir]
InChIInChI=1S/C42H33N4O.C18H24NSi.Ir/c1-25(2)27-15-11-16-28(26(3)4)40(27)46-37-24-43-23-22-33(37)44-42(46)32-20-21-36(39-31-14-7-10-19-38(31)47-41(32)39)45-34-17-8-5-12-29(34)30-13-6-9-18-35(30)45;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-19,21-26H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyLCBIDSYGPGFXNJ-UHFFFAOYSA-N
XLogP15.42
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.45
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

iridium;9-[1-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2H-dibenzofuran-2-id-4-yl]carbazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741877
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzothiophen-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741885
4-carbazol-9-yl-1-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-phenyl-2H-carbazol-2-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164741979
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2-ethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156659986
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657888
CID 167332375
CID 167332375
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]silane
CID 156659497
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156660716
iridium;5-methyl-2-phenyl-8-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669830
1-dibenzofuran-4-yl-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[4-(2,3-dimethylbutyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156658041
iridium;1-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669613
2,5-dimethyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670634

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 164741937) is 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]cc(-n3c4ccccc4c4ccccc43)c3c2oc2ccccc23)nc2ccncc21.[Ir].
What is the InChIKey of 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is LCBIDSYGPGFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N4O.C18H24NSi.Ir/c1-25(2)27-15-11-16-28(26(3)4)40(27)46-37-24-43-23-22-33(37)44-42(46)32-20-21-36(39-31-14-7-10-19-38(31)47-41(32)39)45-34-17-8-5-12-29(34)30-13-6-9-18-35(30)45;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h5-19,21-26H,1-4H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1084.45 g/mol, XLogP of 15.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-3H-dibenzofuran-3-id-1-yl]carbazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 164741937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).