8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C55H56IrN4OSi-2 — CID 156670701

IUPAC8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)[c-]ccc12.[Ir]
InChIInChI=1S/C37H32N3O.C18H24NSi.Ir/c1-23(2)30-20-19-27-26-14-11-15-28(34(26)41-36(27)39-30)35-38-31-16-9-10-17-33(31)40(35)32-21-18-25(22-29(32)37(3,4)5)24-12-7-6-8-13-24;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-14,16-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyGZAQFTBVHRGSTF-UHFFFAOYSA-N
MW1009.38 g/mol
LogP14.16
Rot. Bonds8

About 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156670701) has the molecular formula C55H56IrN4OSi-2 and a molecular weight of 1009.38 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID156670701
Molecular FormulaC55H56IrN4OSi-2
Molecular Weight1009.38 g/mol
Exact Mass1009.39
IUPAC Name8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)[c-]ccc12.[Ir]
InChIInChI=1S/C37H32N3O.C18H24NSi.Ir/c1-23(2)30-20-19-27-26-14-11-15-28(34(26)41-36(27)39-30)35-38-31-16-9-10-17-33(31)40(35)32-21-18-25(22-29(32)37(3,4)5)24-12-7-6-8-13-24;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-14,16-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyGZAQFTBVHRGSTF-UHFFFAOYSA-N
XLogP14.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.38
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670947
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670140
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669072
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672260
iridium;8-(1-methylbenzimidazol-2-yl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156668291
8-[3-(2-tert-butyl-4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156672327
iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670648
6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667638
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667971
iridium;8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670876
iridium;2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156672373
iridium;8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156669236

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156670701) is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)[c-]ccc12.[Ir].
What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is GZAQFTBVHRGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C18H24NSi.Ir/c1-23(2)30-20-19-27-26-14-11-15-28(34(26)41-36(27)39-30)35-38-31-16-9-10-17-33(31)40(35)32-21-18-25(22-29(32)37(3,4)5)24-12-7-6-8-13-24;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h6-14,16-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1009.38 g/mol, XLogP of 14.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156670701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).