8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)

C51H50FGeIrN4S — CID 156668967

About 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)

8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+) (PubChem CID 156668967) has the molecular formula C51H50FGeIrN4S and a molecular weight of 1034.88 g/mol. Its IUPAC name is 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+).

Molecular Properties

• Compound Name: 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)
• PubChem CID: 156668967
• Molecular Formula: C51H50FGeIrN4S
• Molecular Weight: 1034.88 g/mol
• Exact Mass: 1036.26
• IUPAC Name: 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)sc1c(C3[N-]c4c(ccc5ccccc45)N3c3ccc(C(C)(C)C)cc3)[c-]ccc12.[Ir+3]
• InChI: InChI=1S/C33H27N3S.C18H23FGeN.Ir/c1-20-12-18-26-25-10-7-11-27(30(25)37-32(26)34-20)31-35-29-24-9-6-5-8-21(24)13-19-28(29)36(31)23-16-14-22(15-17-23)33(2,3)4;1-13(2)10-14-11-18(15-8-6-7-9-16(15)19)21-12-17(14)20(3,4)5;/h5-10,12-19,31H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q-2;-1;+3
• InChIKey: ZIQNZDJODAYECS-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 43.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.88
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The IUPAC name of 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+) (CID 156668967) is 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+).

What is the SMILES notation for 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The canonical SMILES for 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+) is CC(C)Cc1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)sc1c(C3[N-]c4c(ccc5ccccc45)N3c3ccc(C(C)(C)C)cc3)[c-]ccc12.[Ir+3].

What is the InChIKey of 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

The InChIKey is ZIQNZDJODAYECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3S.C18H23FGeN.Ir/c1-20-12-18-26-25-10-7-11-27(30(25)37-32(26)34-20)31-35-29-24-9-6-5-8-21(24)13-19-28(29)36(31)23-16-14-22(15-17-23)33(2,3)4;1-13(2)10-14-11-18(15-8-6-7-9-16(15)19)21-12-17(14)20(3,4)5;/h5-10,12-19,31H,1-4H3;6-7,9,11-13H,10H2,1-5H3;/q-2;-1;+3.

What are the key properties of 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+)?

8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+) has a molecular weight of 1034.88 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(4-tert-butylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(2-fluorobenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium(3+) is sourced from PubChem (CID 156668967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).