iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

C49H35F3IrN4OSi-2 — CID 156667924

IUPACiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir]
InChIInChI=1S/C35H19F3N3O.C14H16NSi.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyIQRQFFGWUGDAQM-UHFFFAOYSA-N
MW973.14 g/mol
LogP12.72
Rot. Bonds5

About iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156667924) has the molecular formula C49H35F3IrN4OSi-2 and a molecular weight of 973.14 g/mol. Its IUPAC name is iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156667924
Molecular FormulaC49H35F3IrN4OSi-2
Molecular Weight973.14 g/mol
Exact Mass973.22
IUPAC Nameiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir]
InChIInChI=1S/C35H19F3N3O.C14H16NSi.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyIQRQFFGWUGDAQM-UHFFFAOYSA-N
XLogP12.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.14
LogP ≤ 512.72
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'}

Analyze iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane with MolForge

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Related Compounds

N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-[[5-[3-[2-[2-(1-piperidin-1-ylethyl)benzimidazol-1-yl]ethoxy]phenyl]pyridin-2-yl]methyl]propan-2-amine
CID 139322998
iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657576
iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659068
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671121
Trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane
CID 164881322
1-[2,6-di(propan-2-yl)phenyl]-2-[2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[6,7-b][1]benzofuran-4-id-5-yl]benzimidazole;iridium;2-phenylpyridine
CID 171426243
1-[2,6-di(propan-2-yl)phenyl]-2-[3-methyl-2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[6,7-b][1]benzofuran-4-id-5-yl]benzimidazole;iridium;2-phenylpyridine
CID 171426317
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)-2H-1-benzofuran-2-id-3-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 172076652
2-[5-(1,1-difluoro-2-methylpropyl)-2H-1-benzofuran-2-id-3-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 172078970
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 176644340
iridium;8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 176728842
CID 177263298
CID 177263298

Frequently Asked Questions

What is the IUPAC name of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156667924) is iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir].
What is the InChIKey of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is IQRQFFGWUGDAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19F3N3O.C14H16NSi.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 973.14 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156667924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).