CID 58995339

C19H15FIrNSi- — CID 58995339

IUPAC—
SMILES[CH]Cc1cc2ccccc2c(-c2[c-]c(C[Si]C)c(F)cc2)n1.[Ir]
InChIInChI=1S/C19H15FNSi.Ir/c1-3-16-11-13-6-4-5-7-17(13)19(21-16)14-8-9-18(20)15(10-14)12-22-2;/h1,4-9,11H,3,12H2,2H3;/q-1;
InChIKeyCGEPJIWIULNLFC-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.34
Rot. Bonds4

About CID 58995339

CID 58995339 (PubChem CID 58995339) has the molecular formula C19H15FIrNSi- and a molecular weight of 496.64 g/mol.

Molecular Properties

Compound NameCID 58995339
PubChem CID58995339
Molecular FormulaC19H15FIrNSi-
Molecular Weight496.64 g/mol
Exact Mass497.06
IUPAC Name—
SMILES[CH]Cc1cc2ccccc2c(-c2[c-]c(C[Si]C)c(F)cc2)n1.[Ir]
InChIInChI=1S/C19H15FNSi.Ir/c1-3-16-11-13-6-4-5-7-17(13)19(21-16)14-8-9-18(20)15(10-14)12-22-2;/h1,4-9,11H,3,12H2,2H3;/q-1;
InChIKeyCGEPJIWIULNLFC-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 58995339?
The IUPAC name of CID 58995339 (CID 58995339) is not available.
What is the SMILES notation for CID 58995339?
The canonical SMILES for CID 58995339 is [CH]Cc1cc2ccccc2c(-c2[c-]c(C[Si]C)c(F)cc2)n1.[Ir].
What is the InChIKey of CID 58995339?
The InChIKey is CGEPJIWIULNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FNSi.Ir/c1-3-16-11-13-6-4-5-7-17(13)19(21-16)14-8-9-18(20)15(10-14)12-22-2;/h1,4-9,11H,3,12H2,2H3;/q-1;.
What are the key properties of CID 58995339?
CID 58995339 has a molecular weight of 496.64 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58995339 is sourced from PubChem (CID 58995339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).