8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane

C43H35IrN4SSi — CID 156671679

IUPAC8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir+3].[c-]1ccc2c(sc3ncccc32)c1C1[N-]c2cc3ccccc3cc2N1Cc1ccccc1
InChIInChI=1S/C29H19N3S.C14H16NSi.Ir/c1-2-8-19(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;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-17,28H,18H2;4-7,9-11H,1-3H3;/q-2;-1;+3
InChIKeyCGHWQDWPTPASOR-UHFFFAOYSA-N
MW860.15 g/mol
LogP11.22
Rot. Bonds5

About 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156671679) has the molecular formula C43H35IrN4SSi and a molecular weight of 860.15 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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID156671679
Molecular FormulaC43H35IrN4SSi
Molecular Weight860.15 g/mol
Exact Mass860.20
IUPAC Name8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir+3].[c-]1ccc2c(sc3ncccc32)c1C1[N-]c2cc3ccccc3cc2N1Cc1ccccc1
InChIInChI=1S/C29H19N3S.C14H16NSi.Ir/c1-2-8-19(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;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-17,28H,18H2;4-7,9-11H,1-3H3;/q-2;-1;+3
InChIKeyCGHWQDWPTPASOR-UHFFFAOYSA-N
XLogP11.22
TPSA43.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.15
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane with MolForge

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Related Compounds

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
2-(7-benzyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708739
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162708620
CID 165171404
CID 165171404
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 164832449
2-(3H-dibenzothiophen-3-id-4-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658342
iridium;21-(3H-naphtho[2,3-b][1]benzothiol-3-id-4-yl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,21,23,25-tridecaene;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176784321
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576410
iridium;2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]silane
CID 155608412
CID 176728737
CID 176728737
4-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 165171017
iridium;trimethyl-[3-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-4-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832333

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;iridium(3+);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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156671679) is 8-(3-benzyl-2H-benzo[f]benzimidazol-1-id-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium(3+);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;iridium(3+);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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is CGHWQDWPTPASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3S.C14H16NSi.Ir/c1-2-8-19(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;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-12,14-17,28H,18H2;4-7,9-11H,1-3H3;/q-2;-1;+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;iridium(3+);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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 860.15 g/mol, XLogP of 11.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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;iridium(3+);trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156671679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).