4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide

C148H156Ir4N12O4Si4-8 — CID 163664917

IUPAC4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.Cc1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ncc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C20H17N2O.C19H15N2O.4C19H26NSi.C17H11N2O.C16H9N2O.4Ir/c1-20(2,3)13-8-9-22-17(10-13)16-12-21-11-15-14-6-4-5-7-18(14)23-19(15)16;1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16;4*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-11-6-7-19-15(8-11)14-10-18-9-13-12-4-2-3-5-16(12)20-17(13)14;1-2-7-15-11(5-1)12-9-17-10-13(16(12)19-15)14-6-3-4-8-18-14;;;;/h4-11H,1-3H3;3-10,12H,1-2H3;4*7-10,12,14H,13H2,1-6H3;2-9H,1H3;1-9H;;;;/q8*-1;;;;
InChIKeyVQKCGIXLXWGGQX-UHFFFAOYSA-N
MW3048.17 g/mol
LogP36.82
Rot. Bonds17

About 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide

4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide (PubChem CID 163664917) has the molecular formula C148H156Ir4N12O4Si4-8 and a molecular weight of 3048.17 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide.

Molecular Properties

Compound Name4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide
PubChem CID163664917
Molecular FormulaC148H156Ir4N12O4Si4-8
Molecular Weight3048.17 g/mol
Exact Mass3049.00
IUPAC Name4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide
SMILESCC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.Cc1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ncc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C20H17N2O.C19H15N2O.4C19H26NSi.C17H11N2O.C16H9N2O.4Ir/c1-20(2,3)13-8-9-22-17(10-13)16-12-21-11-15-14-6-4-5-7-18(14)23-19(15)16;1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16;4*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-11-6-7-19-15(8-11)14-10-18-9-13-12-4-2-3-5-16(12)20-17(13)14;1-2-7-15-11(5-1)12-9-17-10-13(16(12)19-15)14-6-3-4-8-18-14;;;;/h4-11H,1-3H3;3-10,12H,1-2H3;4*7-10,12,14H,13H2,1-6H3;2-9H,1H3;1-9H;;;;/q8*-1;;;;
InChIKeyVQKCGIXLXWGGQX-UHFFFAOYSA-N
XLogP36.82
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003048.17
LogP ≤ 536.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide?
The IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide (CID 163664917) is 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide.
What is the SMILES notation for 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide?
The canonical SMILES for 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.Cc1ccnc(-c2[c-]ncc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ncc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide?
The InChIKey is VQKCGIXLXWGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O.C19H15N2O.4C19H26NSi.C17H11N2O.C16H9N2O.4Ir/c1-20(2,3)13-8-9-22-17(10-13)16-12-21-11-15-14-6-4-5-7-18(14)23-19(15)16;1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16;4*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-11-6-7-19-15(8-11)14-10-18-9-13-12-4-2-3-5-16(12)20-17(13)14;1-2-7-15-11(5-1)12-9-17-10-13(16(12)19-15)14-6-3-4-8-18-14;;;;/h4-11H,1-3H3;3-10,12H,1-2H3;4*7-10,12,14H,13H2,1-6H3;2-9H,1H3;1-9H;;;;/q8*-1;;;;.
What are the key properties of 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide?
4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide has a molecular weight of 3048.17 g/mol, XLogP of 36.82, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;tetrakis([4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium);4-(4-methyl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-(4-propan-2-yl-2-pyridinyl)-3H-[1]benzofuro[3,2-c]pyridin-3-ide;4-pyridin-2-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide is sourced from PubChem (CID 163664917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).