CID 165170222

C32H24IrN2Si-2 — CID 165170222

IUPAC—
SMILESC[Si]1(C)c2ccc[c-]c2-c2nccc3c2c1cc1ccccc13.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H16NSi.C11H8N.Ir/c1-23(2)18-10-6-5-9-17(18)21-20-16(11-12-22-21)15-8-4-3-7-14(15)13-19(20)23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-8,10-13H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyDFSUUDIZUXQYSW-UHFFFAOYSA-N
MW656.86 g/mol
LogP6.54
Rot. Bonds1

About CID 165170222

CID 165170222 (PubChem CID 165170222) has the molecular formula C32H24IrN2Si-2 and a molecular weight of 656.86 g/mol.

Molecular Properties

Compound NameCID 165170222
PubChem CID165170222
Molecular FormulaC32H24IrN2Si-2
Molecular Weight656.86 g/mol
Exact Mass657.13
IUPAC Name—
SMILESC[Si]1(C)c2ccc[c-]c2-c2nccc3c2c1cc1ccccc13.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H16NSi.C11H8N.Ir/c1-23(2)18-10-6-5-9-17(18)21-20-16(11-12-22-21)15-8-4-3-7-14(15)13-19(20)23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-8,10-13H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyDFSUUDIZUXQYSW-UHFFFAOYSA-N
XLogP6.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.86
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

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CID 165170372
CID 165170383
CID 165170383
CID 165170192
CID 165170192
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
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CID 59865388
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
iridium;tris(2-phenylpyridine)
CID 23386734
CID 158059987
CID 158059987
5,5-dimethyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;iridium
CID 59661557
1-(9,10-diphenyl-3H-anthracen-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775848
2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 165170345
2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170188

Frequently Asked Questions

What is the IUPAC name of CID 165170222?
The IUPAC name of CID 165170222 (CID 165170222) is not available.
What is the SMILES notation for CID 165170222?
The canonical SMILES for CID 165170222 is C[Si]1(C)c2ccc[c-]c2-c2nccc3c2c1cc1ccccc13.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 165170222?
The InChIKey is DFSUUDIZUXQYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16NSi.C11H8N.Ir/c1-23(2)18-10-6-5-9-17(18)21-20-16(11-12-22-21)15-8-4-3-7-14(15)13-19(20)23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-8,10-13H,1-2H3;1-6,8-9H;/q2*-1;.
What are the key properties of CID 165170222?
CID 165170222 has a molecular weight of 656.86 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165170222 is sourced from PubChem (CID 165170222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).