8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)

C178H152Ge2Ir4N16S4Si2 — CID 162002782

About 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)

8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 162002782) has the molecular formula C178H152Ge2Ir4N16S4Si2 and a molecular weight of 3613.81 g/mol. Its IUPAC name is 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
• PubChem CID: 162002782
• Molecular Formula: C178H152Ge2Ir4N16S4Si2
• Molecular Weight: 3613.81 g/mol
• Exact Mass: 3616.77
• IUPAC Name: 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
• SMILES: CC(C)(C)c1ccc(N2c3ccc4ccccc4c3[N-]C2c2[c-]ccc3c2sc2ncccc23)c(-c2ccccc2)c1.CC(C)N1c2ccc3ccccc3c2[N-]C1c1[c-]ccc2c1sc1ncccc12.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1N1c2cc3ccccc3cc2[N-]C1c1[c-]ccc2c1sc1ncccc12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(sc3ncccc32)c1C1[N-]c2cc3ccccc3cc2N1Cc1ccccc1
• InChI: InChI=1S/C38H29N3S.C30H21N3S.C29H19N3S.C25H19N3S.2C14H16GeN.2C14H16NSi.4Ir/c1-38(2,3)26-19-21-32(31(23-26)24-11-5-4-6-12-24)41-33-20-18-25-13-7-8-14-27(25)34(33)40-36(41)30-16-9-15-28-29-17-10-22-39-37(29)42-35(28)30;1-18-8-5-9-19(2)27(18)33-26-17-21-11-4-3-10-20(21)16-25(26)32-29(33)24-13-6-12-22-23-14-7-15-31-30(23)34-28(22)24;1-2-8-19(9-3-1)18-32-26-17-21-11-5-4-10-20(21)16-25(26)31-28(32)24-13-6-12-22-23-14-7-15-30-29(23)33-27(22)24;1-15(2)28-21-13-12-16-7-3-4-8-17(16)22(21)27-24(28)20-10-5-9-18-19-11-6-14-26-25(19)29-23(18)20;2*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h4-15,17-23,36H,1-3H3;3-12,14-17,29H,1-2H3;1-12,14-17,28H,18H2;3-9,11-15,24H,1-2H3;4*4-7,9-11H,1-3H3;;;;/q4*-2;4*-1;4*+3
• InChIKey: XSWJHIQXXIGFQP-UHFFFAOYSA-N
• XLogP: 47.93
• TPSA: 172.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3613.81
LogP ≤ 5	47.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The IUPAC name of 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 162002782) is 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane).

What is the SMILES notation for 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The canonical SMILES for 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) is CC(C)(C)c1ccc(N2c3ccc4ccccc4c3[N-]C2c2[c-]ccc3c2sc2ncccc23)c(-c2ccccc2)c1.CC(C)N1c2ccc3ccccc3c2[N-]C1c1[c-]ccc2c1sc1ncccc12.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cccc(C)c1N1c2cc3ccccc3cc2[N-]C1c1[c-]ccc2c1sc1ncccc12.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccc2c(sc3ncccc32)c1C1[N-]c2cc3ccccc3cc2N1Cc1ccccc1.

What is the InChIKey of 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The InChIKey is XSWJHIQXXIGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3S.C30H21N3S.C29H19N3S.C25H19N3S.2C14H16GeN.2C14H16NSi.4Ir/c1-38(2,3)26-19-21-32(31(23-26)24-11-5-4-6-12-24)41-33-20-18-25-13-7-8-14-27(25)34(33)40-36(41)30-16-9-15-28-29-17-10-22-39-37(29)42-35(28)30;1-18-8-5-9-19(2)27(18)33-26-17-21-11-4-3-10-20(21)16-25(26)32-29(33)24-13-6-12-22-23-14-7-15-31-30(23)34-28(22)24;1-2-8-19(9-3-1)18-32-26-17-21-11-5-4-10-20(21)16-25(26)31-28(32)24-13-6-12-22-23-14-7-15-30-29(23)33-27(22)24;1-15(2)28-21-13-12-16-7-3-4-8-17(16)22(21)27-24(28)20-10-5-9-18-19-11-6-14-26-25(19)29-23(18)20;2*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h4-15,17-23,36H,1-3H3;3-12,14-17,29H,1-2H3;1-12,14-17,28H,18H2;3-9,11-15,24H,1-2H3;4*4-7,9-11H,1-3H3;;;;/q4*-2;4*-1;4*+3.

What are the key properties of 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)?

8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 3613.81 g/mol, XLogP of 47.93, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(4-tert-butyl-2-phenylphenyl)-2H-benzo[e]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[3-(2,6-dimethylphenyl)-2H-benzo[f]benzimidazol-1-id-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium(3+));8-(3-propan-2-yl-2H-benzo[e]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;bis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 162002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).