[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)

C74H72Ir2N4S2Si2-4 — CID 161340030

About [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)

[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine) (PubChem CID 161340030) has the molecular formula C74H72Ir2N4S2Si2-4 and a molecular weight of 1522.16 g/mol. Its IUPAC name is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine).

Molecular Properties

• Compound Name: [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)
• PubChem CID: 161340030
• Molecular Formula: C74H72Ir2N4S2Si2-4
• Molecular Weight: 1522.16 g/mol
• Exact Mass: 1522.40
• IUPAC Name: [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)
• SMILES: C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir]
• InChI: InChI=1S/2C25H26NSSi.2C12H10N.2Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6,9,11-17H,4-5,7-8H2,1-3H3;2*2-5,7-9H,1H3;;/q4*-1
• InChIKey: NFXUHMDLXVEIMM-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1522.16
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)?

The IUPAC name of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine) (CID 161340030) is [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine).

What is the SMILES notation for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)?

The canonical SMILES for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine) is C[Si](C)(C)c1ccc2c(c1)sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.C[Si](C)(C)c1cccc2c1sc1c(-c3cc(C4CCCC4)ccn3)[c-]ccc12.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].

What is the InChIKey of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)?

The InChIKey is NFXUHMDLXVEIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26NSSi.2C12H10N.2Ir/c1-28(2,3)23-13-7-11-20-19-10-6-12-21(24(19)27-25(20)23)22-16-18(14-15-26-22)17-8-4-5-9-17;1-28(2,3)19-11-12-20-21-9-6-10-22(25(21)27-24(20)16-19)23-15-18(13-14-26-23)17-7-4-5-8-17;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;/h6-7,10-11,13-17H,4-5,8-9H2,1-3H3;6,9,11-17H,4-5,7-8H2,1-3H3;2*2-5,7-9H,1H3;;/q4*-1;;.

What are the key properties of [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine)?

[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine) has a molecular weight of 1522.16 g/mol, XLogP of 19.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;[6-(4-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]-trimethylsilane;bis(iridium);bis(5-methyl-2-phenylpyridine) is sourced from PubChem (CID 161340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).