2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane

C31H32OSi — CID 89117238

IUPAC2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2oc3c4cc5ccccc5cc4ccc3c2c1)(C(C)C)C(C)C
InChIInChI=1S/C31H32OSi/c1-20(2)33(21(3)4,22(5)6)16-15-23-11-14-30-29(17-23)27-13-12-26-18-24-9-7-8-10-25(24)19-28(26)31(27)32-30/h7-14,17-22H,1-6H3
InChIKeyBKTDOTSLCRHGHG-UHFFFAOYSA-N
MW448.68 g/mol
LogP9.46
Rot. Bonds3

About 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane

2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane (PubChem CID 89117238) has the molecular formula C31H32OSi and a molecular weight of 448.68 g/mol. Its IUPAC name is 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane
PubChem CID89117238
Molecular FormulaC31H32OSi
Molecular Weight448.68 g/mol
Exact Mass448.22
IUPAC Name2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2oc3c4cc5ccccc5cc4ccc3c2c1)(C(C)C)C(C)C
InChIInChI=1S/C31H32OSi/c1-20(2)33(21(3)4,22(5)6)16-15-23-11-14-30-29(17-23)27-13-12-26-18-24-9-7-8-10-25(24)19-28(26)31(27)32-30/h7-14,17-22H,1-6H3
InChIKeyBKTDOTSLCRHGHG-UHFFFAOYSA-N
XLogP9.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.68
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)-[2-[19-[2-tri(propan-2-yl)silylethynyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-7-yl]ethynyl]silane
CID 70938411
tri(propan-2-yl)-[2-[8-[2-tri(propan-2-yl)silylethynyl]chrysen-2-yl]ethynyl]silane
CID 58362242
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]ethynyl]silane
CID 58410794
2-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)ethynyl-tri(propan-2-yl)silane
CID 177420389
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
2-[13-[2-(4-bromophenyl)ethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102596944
2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
CID 169268052
1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
CID 169049968
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473

Frequently Asked Questions

What is the IUPAC name of 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane (CID 89117238) is 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc2oc3c4cc5ccccc5cc4ccc3c2c1)(C(C)C)C(C)C.
What is the InChIKey of 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane?
The InChIKey is BKTDOTSLCRHGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32OSi/c1-20(2)33(21(3)4,22(5)6)16-15-23-11-14-30-29(17-23)27-13-12-26-18-24-9-7-8-10-25(24)19-28(26)31(27)32-30/h7-14,17-22H,1-6H3.
What are the key properties of 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane?
2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane has a molecular weight of 448.68 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthra[1,2-b][1]benzofuran-9-ylethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 89117238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).