CID 156655551

C26H24BIrN2Si2- — CID 156655551

IUPAC—
SMILESC[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2B(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C26H24BN2Si2.Ir/c1-30(2)22-11-7-5-9-19(22)27-20-10-6-8-12-23(20)31(3,4)25-16-18(15-24(30)26(25)27)21-17-28-13-14-29-21;/h5-15,17H,1-4H3;/q-1;
InChIKeyGJBZCGLGFCILJE-UHFFFAOYSA-N
MW623.69 g/mol
LogP0.73
Rot. Bonds1

About CID 156655551

CID 156655551 (PubChem CID 156655551) has the molecular formula C26H24BIrN2Si2- and a molecular weight of 623.69 g/mol.

Molecular Properties

Compound NameCID 156655551
PubChem CID156655551
Molecular FormulaC26H24BIrN2Si2-
Molecular Weight623.69 g/mol
Exact Mass624.12
IUPAC Name—
SMILESC[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2B(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C26H24BN2Si2.Ir/c1-30(2)22-11-7-5-9-19(22)27-20-10-6-8-12-23(20)31(3,4)25-16-18(15-24(30)26(25)27)21-17-28-13-14-29-21;/h5-15,17H,1-4H3;/q-1;
InChIKeyGJBZCGLGFCILJE-UHFFFAOYSA-N
XLogP0.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.69
LogP ≤ 50.73
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 156655551?
The IUPAC name of CID 156655551 (CID 156655551) is not available.
What is the SMILES notation for CID 156655551?
The canonical SMILES for CID 156655551 is C[Si]1(C)c2[c-]c(-c3cnccn3)cc3c2B(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir].
What is the InChIKey of CID 156655551?
The InChIKey is GJBZCGLGFCILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BN2Si2.Ir/c1-30(2)22-11-7-5-9-19(22)27-20-10-6-8-12-23(20)31(3,4)25-16-18(15-24(30)26(25)27)21-17-28-13-14-29-21;/h5-15,17H,1-4H3;/q-1;.
What are the key properties of CID 156655551?
CID 156655551 has a molecular weight of 623.69 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655551 is sourced from PubChem (CID 156655551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).