CID 162463176

C23H17AsIrN2O- — CID 162463176

IUPAC—
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1[As]2=O.[Ir]
InChIInChI=1S/C23H17AsN2O.Ir/c1-15-23(16(2)26(25-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)24(22)27;/h3-8,10-14H,1-2H3;/q-1;
InChIKeyANYDPMYSIWRCDE-UHFFFAOYSA-N
MW604.54 g/mol
LogP3.47
Rot. Bonds2

About CID 162463176

CID 162463176 (PubChem CID 162463176) has the molecular formula C23H17AsIrN2O- and a molecular weight of 604.54 g/mol.

Molecular Properties

Compound NameCID 162463176
PubChem CID162463176
Molecular FormulaC23H17AsIrN2O-
Molecular Weight604.54 g/mol
Exact Mass605.02
IUPAC Name—
SMILESCc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1[As]2=O.[Ir]
InChIInChI=1S/C23H17AsN2O.Ir/c1-15-23(16(2)26(25-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)24(22)27;/h3-8,10-14H,1-2H3;/q-1;
InChIKeyANYDPMYSIWRCDE-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.54
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of CID 162463176?
The IUPAC name of CID 162463176 (CID 162463176) is not available.
What is the SMILES notation for CID 162463176?
The canonical SMILES for CID 162463176 is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc2c(c1)-c1ccccc1[As]2=O.[Ir].
What is the InChIKey of CID 162463176?
The InChIKey is ANYDPMYSIWRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17AsN2O.Ir/c1-15-23(16(2)26(25-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)24(22)27;/h3-8,10-14H,1-2H3;/q-1;.
What are the key properties of CID 162463176?
CID 162463176 has a molecular weight of 604.54 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162463176 is sourced from PubChem (CID 162463176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).