[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane

C176H136Ir4N16OS5Si4-8 — CID 157349281

IUPAC[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3ccccc3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C25H16N3S.C20H18NOSi.C20H18NSSi.2C18H18NSi.4Ir/c4*1-16-14-15-19-18-10-7-11-20(23(18)29-25(19)26-16)24-27-21-12-5-6-13-22(21)28(24)17-8-3-2-4-9-17;2*1-23(2,3)14-11-12-18(21-13-14)17-9-6-8-16-15-7-4-5-10-19(15)22-20(16)17;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;1-20(2,3)17-10-11-18(19-13-17)16-9-8-14-6-4-5-7-15(14)12-16;;;;/h4*2-10,12-15H,1H3;2*4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;4-8,10-13H,1-3H3;;;;/q8*-1;;;;
InChIKeyASLKWUAHFAPHDL-UHFFFAOYSA-N
MW3532.68 g/mol
LogP45.20
Rot. Bonds16

About [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane

[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane (PubChem CID 157349281) has the molecular formula C176H136Ir4N16OS5Si4-8 and a molecular weight of 3532.68 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane
PubChem CID157349281
Molecular FormulaC176H136Ir4N16OS5Si4-8
Molecular Weight3532.68 g/mol
Exact Mass3532.73
IUPAC Name[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3ccccc3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C25H16N3S.C20H18NOSi.C20H18NSSi.2C18H18NSi.4Ir/c4*1-16-14-15-19-18-10-7-11-20(23(18)29-25(19)26-16)24-27-21-12-5-6-13-22(21)28(24)17-8-3-2-4-9-17;2*1-23(2,3)14-11-12-18(21-13-14)17-9-6-8-16-15-7-4-5-10-19(15)22-20(16)17;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;1-20(2,3)17-10-11-18(19-13-17)16-9-8-14-6-4-5-7-15(14)12-16;;;;/h4*2-10,12-15H,1H3;2*4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;4-8,10-13H,1-3H3;;;;/q8*-1;;;;
InChIKeyASLKWUAHFAPHDL-UHFFFAOYSA-N
XLogP45.20
TPSA187.54 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003532.68
LogP ≤ 545.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane with MolForge

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Related Compounds

CID 157442309
CID 157442309
CID 157652393
CID 157652393
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
[22-Dibenzothiophen-2-yl-7-(3,5-difluorophenyl)-1',2'-dimethylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 167356195
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118446292
2-[7-[4-[4-Dibenzofuran-4-yl-6-(9-isoquinolin-3-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-[4-(3-phenylphenyl)-6-[4-[3-[4-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-1-yl]pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-4-phenylquinazoline
CID 154939357
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 156656928
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156656996
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;[4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 156657118
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156657160
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 156657167
3-dibenzofuran-4-yl-2-(3H-dibenzothiophen-3-id-4-yl)benzo[f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156657223

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane?
The IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane (CID 157349281) is [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]cc3ccccc3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3c2sc2ccccc23)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3nc4ccccc4n3-c3ccccc3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane?
The InChIKey is ASLKWUAHFAPHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H16N3S.C20H18NOSi.C20H18NSSi.2C18H18NSi.4Ir/c4*1-16-14-15-19-18-10-7-11-20(23(18)29-25(19)26-16)24-27-21-12-5-6-13-22(21)28(24)17-8-3-2-4-9-17;2*1-23(2,3)14-11-12-18(21-13-14)17-9-6-8-16-15-7-4-5-10-19(15)22-20(16)17;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;1-20(2,3)17-10-11-18(19-13-17)16-9-8-14-6-4-5-7-15(14)12-16;;;;/h4*2-10,12-15H,1H3;2*4-8,10-13H,1-3H3;4-9,11-13H,1-3H3;4-8,10-13H,1-3H3;;;;/q8*-1;;;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane?
[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane has a molecular weight of 3532.68 g/mol, XLogP of 45.20, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane is sourced from PubChem (CID 157349281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).