iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine

C30H20IrN2S-2 — CID 155628605

IUPACiridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccc2sc(-c3ccccc3)cc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H12NS.C11H8N.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-13H;1-6,8-9H;/q2*-1;
InChIKeyNVOZQNQJBMAVHE-UHFFFAOYSA-N
MW632.79 g/mol
LogP7.98
Rot. Bonds3

About iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine

iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine (PubChem CID 155628605) has the molecular formula C30H20IrN2S-2 and a molecular weight of 632.79 g/mol. Its IUPAC name is iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine
PubChem CID155628605
Molecular FormulaC30H20IrN2S-2
Molecular Weight632.79 g/mol
Exact Mass633.10
IUPAC Nameiridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccc2sc(-c3ccccc3)cc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H12NS.C11H8N.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-13H;1-6,8-9H;/q2*-1;
InChIKeyNVOZQNQJBMAVHE-UHFFFAOYSA-N
XLogP7.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine?
The IUPAC name of iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine (CID 155628605) is iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine.
What is the SMILES notation for iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine?
The canonical SMILES for iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine is [Ir].[c-]1ccccc1-c1ccc2sc(-c3ccccc3)cc2n1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine?
The InChIKey is NVOZQNQJBMAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12NS.C11H8N.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9-13H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine?
iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine has a molecular weight of 632.79 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine;2-phenylpyridine is sourced from PubChem (CID 155628605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).