CID 162452967

C36H41IrN2OSi4-2 — CID 162452967

IUPAC—
SMILESC[Si](C)[Si](c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1)([Si](C)(C)C)[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H33NOSi4.C11H8N.Ir/c1-28(2)31(29(3,4)5,30(6,7)8)19-16-17-23(26-18-19)22-14-11-13-21-20-12-9-10-15-24(20)27-25(21)22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-13,15-18H,1-8H3;1-6,8-9H;/q2*-1;
InChIKeyOUZJEAJLDKARSC-UHFFFAOYSA-N
MW822.30 g/mol
LogP9.32
Rot. Bonds6

About CID 162452967

CID 162452967 (PubChem CID 162452967) has the molecular formula C36H41IrN2OSi4-2 and a molecular weight of 822.30 g/mol.

Molecular Properties

Compound NameCID 162452967
PubChem CID162452967
Molecular FormulaC36H41IrN2OSi4-2
Molecular Weight822.30 g/mol
Exact Mass822.19
IUPAC Name—
SMILESC[Si](C)[Si](c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1)([Si](C)(C)C)[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H33NOSi4.C11H8N.Ir/c1-28(2)31(29(3,4)5,30(6,7)8)19-16-17-23(26-18-19)22-14-11-13-21-20-12-9-10-15-24(20)27-25(21)22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-13,15-18H,1-8H3;1-6,8-9H;/q2*-1;
InChIKeyOUZJEAJLDKARSC-UHFFFAOYSA-N
XLogP9.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.30
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
iridium;2-[7-(1-phenylethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162707539
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708620
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
5-tert-butyl-3-(3H-dibenzofuran-3-id-4-yl)pyridazine;iridium;2-phenylpyridine
CID 172534963
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
3-(3H-dibenzofuran-3-id-4-yl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176822649
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 155608840

Frequently Asked Questions

What is the IUPAC name of CID 162452967?
The IUPAC name of CID 162452967 (CID 162452967) is not available.
What is the SMILES notation for CID 162452967?
The canonical SMILES for CID 162452967 is C[Si](C)[Si](c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1)([Si](C)(C)C)[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 162452967?
The InChIKey is OUZJEAJLDKARSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NOSi4.C11H8N.Ir/c1-28(2)31(29(3,4)5,30(6,7)8)19-16-17-23(26-18-19)22-14-11-13-21-20-12-9-10-15-24(20)27-25(21)22;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-13,15-18H,1-8H3;1-6,8-9H;/q2*-1;.
What are the key properties of CID 162452967?
CID 162452967 has a molecular weight of 822.30 g/mol, XLogP of 9.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162452967 is sourced from PubChem (CID 162452967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).