CID 165170371

C19H10IrNS- — CID 165170371

IUPAC—
SMILES[Ir].[c-]1cccc2c1-c1nccc3c1c(cc1ccccc13)S2
InChIInChI=1S/C19H10NS.Ir/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17;/h1-6,8-11H;/q-1;
InChIKeyUFJUFYDYKKJUCP-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.32
Rot. Bonds

About CID 165170371

CID 165170371 (PubChem CID 165170371) has the molecular formula C19H10IrNS- and a molecular weight of 476.58 g/mol.

Molecular Properties

Compound NameCID 165170371
PubChem CID165170371
Molecular FormulaC19H10IrNS-
Molecular Weight476.58 g/mol
Exact Mass477.02
IUPAC Name—
SMILES[Ir].[c-]1cccc2c1-c1nccc3c1c(cc1ccccc13)S2
InChIInChI=1S/C19H10NS.Ir/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17;/h1-6,8-11H;/q-1;
InChIKeyUFJUFYDYKKJUCP-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 165170192
CID 165170192
CID 165170389
CID 165170389
CID 165170372
CID 165170372
CID 165170222
CID 165170222
CID 165170354
CID 165170354
CID 165170279
CID 165170279
CID 165170383
CID 165170383
16,18-dimethyl-2-thia-10,17-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170193
6-fluoro-28-thia-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880881
6,8-difluoro-28-thia-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880751
CID 165170330
CID 165170330
CID 165170229
CID 165170229

Frequently Asked Questions

What is the IUPAC name of CID 165170371?
The IUPAC name of CID 165170371 (CID 165170371) is not available.
What is the SMILES notation for CID 165170371?
The canonical SMILES for CID 165170371 is [Ir].[c-]1cccc2c1-c1nccc3c1c(cc1ccccc13)S2.
What is the InChIKey of CID 165170371?
The InChIKey is UFJUFYDYKKJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10NS.Ir/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17;/h1-6,8-11H;/q-1;.
What are the key properties of CID 165170371?
CID 165170371 has a molecular weight of 476.58 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165170371 is sourced from PubChem (CID 165170371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).