[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)

C117H113Ir3N7OSSi3-6 — CID 157094489

IUPAC[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
SMILESC[Si](C)(C)c1cnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1CC1CCCC1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C32H33N2Si.C26H28NOSi.C26H28NSSi.3C11H8N.3Ir/c1-35(2,3)32-22-33-29(21-25(32)19-23-11-7-8-12-23)24-17-18-31-28(20-24)27-15-9-10-16-30(27)34(31)26-13-5-4-6-14-26;2*1-29(2,3)26-17-27-23(16-20(26)14-18-8-4-5-9-18)19-12-13-25-22(15-19)21-10-6-7-11-24(21)28-25;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-6,9-10,13-16,18,20-23H,7-8,11-12,19H2,1-3H3;2*6-7,10-11,13,15-18H,4-5,8-9,14H2,1-3H3;3*1-6,8-9H;;;/q6*-1;;;
InChIKeyOKRAUEPPBIOJPZ-UHFFFAOYSA-N
MW2326.21 g/mol
LogP29.48
Rot. Bonds16

About [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)

[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) (PubChem CID 157094489) has the molecular formula C117H113Ir3N7OSSi3-6 and a molecular weight of 2326.21 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine).

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
PubChem CID157094489
Molecular FormulaC117H113Ir3N7OSSi3-6
Molecular Weight2326.21 g/mol
Exact Mass2326.70
IUPAC Name[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
SMILESC[Si](C)(C)c1cnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1CC1CCCC1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C32H33N2Si.C26H28NOSi.C26H28NSSi.3C11H8N.3Ir/c1-35(2,3)32-22-33-29(21-25(32)19-23-11-7-8-12-23)24-17-18-31-28(20-24)27-15-9-10-16-30(27)34(31)26-13-5-4-6-14-26;2*1-29(2,3)26-17-27-23(16-20(26)14-18-8-4-5-9-18)19-12-13-25-22(15-19)21-10-6-7-11-24(21)28-25;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-6,9-10,13-16,18,20-23H,7-8,11-12,19H2,1-3H3;2*6-7,10-11,13,15-18H,4-5,8-9,14H2,1-3H3;3*1-6,8-9H;;;/q6*-1;;;
InChIKeyOKRAUEPPBIOJPZ-UHFFFAOYSA-N
XLogP29.48
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002326.21
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157225149
CID 157225149
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
CID 159961606
CID 159961606
8-[3-[6-[6-[6-[3-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-4-yl]dibenzothiophen-4-yl]dibenzofuran-4-yl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059133
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
8-[3-[8-[4,6-Dimethyl-8-[3-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzofuran-2-yl]-4,6-dimethyldibenzothiophen-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58501587
[9-([1]Benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-dibenzofuran-4-yl-dimethylsilane
CID 89850204
8-[6-(5,7-Diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine
CID 118700105
Diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(9-phenylpyrido[3,4-b]indol-6-yl)dibenzothiophen-4-yl]silane
CID 140811572
Diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
CID 140811595
Diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
CID 140811611
Diphenyl-[8-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]silane
CID 140811621

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?
The IUPAC name of [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) (CID 157094489) is [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine).
What is the SMILES notation for [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?
The canonical SMILES for [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) is C[Si](C)(C)c1cnc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3oc4ccccc4c3c2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cc3sc4ccccc4c3c2)cc1CC1CCCC1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?
The InChIKey is OKRAUEPPBIOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N2Si.C26H28NOSi.C26H28NSSi.3C11H8N.3Ir/c1-35(2,3)32-22-33-29(21-25(32)19-23-11-7-8-12-23)24-17-18-31-28(20-24)27-15-9-10-16-30(27)34(31)26-13-5-4-6-14-26;2*1-29(2,3)26-17-27-23(16-20(26)14-18-8-4-5-9-18)19-12-13-25-22(15-19)21-10-6-7-11-24(21)28-25;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4-6,9-10,13-16,18,20-23H,7-8,11-12,19H2,1-3H3;2*6-7,10-11,13,15-18H,4-5,8-9,14H2,1-3H3;3*1-6,8-9H;;;/q6*-1;;;.
What are the key properties of [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)?
[4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) has a molecular weight of 2326.21 g/mol, XLogP of 29.48, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine) is sourced from PubChem (CID 157094489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).