8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

C58H47FIrN6OSi-2 — CID 176728766

IUPAC8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESCC(C)c1cc(-c2ccc([Si](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C#N)ncc23)nc2cc3ccc4ccccc4c3cc21.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C47H40N5OSi.C11H7FN.Ir/c1-27(2)37-21-32(29-17-19-33(20-18-29)54(5,6)7)22-38(28(3)4)44(37)52-42-24-39-31(16-15-30-11-8-9-12-34(30)39)23-41(42)50-46(52)36-14-10-13-35-40-26-49-43(25-48)51-47(40)53-45(35)36;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h8-13,15-24,26-28H,1-7H3;1-4,6-8H;/q2*-1;
InChIKeyPXSBWCRPUWPIRA-UHFFFAOYSA-N
MW1083.36 g/mol
LogP14.50
Rot. Bonds7

About 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (PubChem CID 176728766) has the molecular formula C58H47FIrN6OSi-2 and a molecular weight of 1083.36 g/mol. Its IUPAC name is 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
PubChem CID176728766
Molecular FormulaC58H47FIrN6OSi-2
Molecular Weight1083.36 g/mol
Exact Mass1083.32
IUPAC Name8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESCC(C)c1cc(-c2ccc([Si](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C#N)ncc23)nc2cc3ccc4ccccc4c3cc21.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C47H40N5OSi.C11H7FN.Ir/c1-27(2)37-21-32(29-17-19-33(20-18-29)54(5,6)7)22-38(28(3)4)44(37)52-42-24-39-31(16-15-30-11-8-9-12-34(30)39)23-41(42)50-46(52)36-14-10-13-35-40-26-49-43(25-48)51-47(40)53-45(35)36;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h8-13,15-24,26-28H,1-7H3;1-4,6-8H;/q2*-1;
InChIKeyPXSBWCRPUWPIRA-UHFFFAOYSA-N
XLogP14.50
TPSA93.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.36
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium with MolForge

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Related Compounds

CID 171461742
CID 171461742
CID 171461706
CID 171461706
2-(4-fluorobenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;iridium;8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile
CID 169301791
CID 171461647
CID 171461647
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium(3+);3-[6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-id-3-yl]benzonitrile;2-phenylpyridine
CID 169301713
2-fluoro-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-4-carbonitrile;iridium;trimethyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 169299531
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;trimethyl-[4-[4-[2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]silane
CID 170537702
CID 171461750
CID 171461750
iridium;4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-id-2-yl]benzonitrile;2-phenylpyridine
CID 171051824
CID 171461698
CID 171461698
CID 176817212
CID 176817212
CID 171461561
CID 171461561

Frequently Asked Questions

What is the IUPAC name of 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (CID 176728766) is 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is CC(C)c1cc(-c2ccc([Si](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(C#N)ncc23)nc2cc3ccc4ccccc4c3cc21.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].
What is the InChIKey of 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is PXSBWCRPUWPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N5OSi.C11H7FN.Ir/c1-27(2)37-21-32(29-17-19-33(20-18-29)54(5,6)7)22-38(28(3)4)44(37)52-42-24-39-31(16-15-30-11-8-9-12-34(30)39)23-41(42)50-46(52)36-14-10-13-35-40-26-49-43(25-48)51-47(40)53-45(35)36;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h8-13,15-24,26-28H,1-7H3;1-4,6-8H;/q2*-1;.
What are the key properties of 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 1083.36 g/mol, XLogP of 14.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-[2,6-di(propan-2-yl)-4-(4-trimethylsilylphenyl)phenyl]naphtho[1,2-f]benzimidazol-9-yl]-7H-[1]benzofuro[2,3-d]pyrimidin-7-ide-2-carbonitrile;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 176728766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).