CID 164706110

C12H9IrN4- — CID 164706110

IUPAC—
SMILESCN1[C]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C12H9N4.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;/h2-5,7-8H,1H3;/q-1;
InChIKeyRLIPRGMYPCAIOK-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.86
Rot. Bonds1

About CID 164706110

CID 164706110 (PubChem CID 164706110) has the molecular formula C12H9IrN4- and a molecular weight of 401.45 g/mol.

Molecular Properties

Compound NameCID 164706110
PubChem CID164706110
Molecular FormulaC12H9IrN4-
Molecular Weight401.45 g/mol
Exact Mass402.05
IUPAC Name—
SMILESCN1[C]N(c2[c-]cccc2)c2nccnc21.[Ir]
InChIInChI=1S/C12H9N4.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;/h2-5,7-8H,1H3;/q-1;
InChIKeyRLIPRGMYPCAIOK-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164706110?
The IUPAC name of CID 164706110 (CID 164706110) is not available.
What is the SMILES notation for CID 164706110?
The canonical SMILES for CID 164706110 is CN1[C]N(c2[c-]cccc2)c2nccnc21.[Ir].
What is the InChIKey of CID 164706110?
The InChIKey is RLIPRGMYPCAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N4.Ir/c1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;/h2-5,7-8H,1H3;/q-1;.
What are the key properties of CID 164706110?
CID 164706110 has a molecular weight of 401.45 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164706110 is sourced from PubChem (CID 164706110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).