Fac-tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)

• CAS: 405289-74-9
• Catalog Number: ACM405289749-3
• Category: Organic & Printed Electronics
• Molecular Weight: 823.06
• Molecular Formula: C39H24IrN3S3
• Synonyms: Fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-C3,N]iridium(III);fac-Ir(btpy)3,Tris(2-(benzo[b]thiophen-2-yl)pyridineiridium(III);Tris[2-(benzo[b]thiophen-2-yl)pyridinato-C3,N]iridium(III);Tris(2-(benzo[b]thiophen-2-yl)pyridineiridium(III);Ir(btpy)3;Ir(btpy
• IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium(3+)
• SMILES: C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir+3]
• InChI: InChI=1S/3C13H8NS.Ir/c3*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;/h3*1-8H;/q3*-1;+3
• InChI Key: USGICQHVMVTCCE-UHFFFAOYSA-N
• Boiling Point: >300 °C
• Appearance: Red powder

Custom Q&A

What is the molecular formula of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The molecular formula is C39H24IrN3S3.

What is the PubChem CID of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The PubChem CID is 71306700.

What is the molecular weight of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The molecular weight is 823.0 g/mol.

What is the IUPAC name of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium(3+).

What is the InChI of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The InChI is InChI=1S/3C13H8NS.Ir/c3*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;/h3*1-8H;/q3*-1;+3.

What is the InChIKey of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The InChIKey is USGICQHVMVTCCE-UHFFFAOYSA-N.

What is the Canonical SMILES of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The Canonical SMILES is C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir+3].

What is the CAS number of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The CAS number is 405289-74-9.

What is the European Community (EC) number of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The European Community (EC) number is 637-024-1.

What is the hydrogen bond donor count of fac-Tris[2-(benzo[b]thiophen-2-yl)pyridinato-c3,n]iridium(iii)?

The hydrogen bond donor count is 0.