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

MSDS COA Spec Sheet

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Specification

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+)

Canonical 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

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.