9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid

C36H48O3Si2 — CID 134961047

IUPAC9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid
SMILESCC(C)[Si](C#Cc1cc2c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)O)C(=O)c1ccccc1-2)(C(C)C)C(C)C
InChIInChI=1S/C36H48O3Si2/c1-22(2)40(23(3)4,24(5)6)19-17-28-21-32-29-15-13-14-16-30(29)35(37)34(32)31(33(28)36(38)39)18-20-41(25(7)8,26(9)10)27(11)12/h13-16,21-27H,1-12H3,(H,38,39)
InChIKeyVOAMDUNHDWSHJT-UHFFFAOYSA-N
MW584.95 g/mol
LogP9.74
Rot. Bonds7

About 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid

9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid (PubChem CID 134961047) has the molecular formula C36H48O3Si2 and a molecular weight of 584.95 g/mol. Its IUPAC name is 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid
PubChem CID134961047
Molecular FormulaC36H48O3Si2
Molecular Weight584.95 g/mol
Exact Mass584.31
IUPAC Name9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid
SMILESCC(C)[Si](C#Cc1cc2c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)O)C(=O)c1ccccc1-2)(C(C)C)C(C)C
InChIInChI=1S/C36H48O3Si2/c1-22(2)40(23(3)4,24(5)6)19-17-28-21-32-29-15-13-14-16-30(29)35(37)34(32)31(33(28)36(38)39)18-20-41(25(7)8,26(9)10)27(11)12/h13-16,21-27H,1-12H3,(H,38,39)
InChIKeyVOAMDUNHDWSHJT-UHFFFAOYSA-N
XLogP9.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.95
LogP ≤ 59.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid 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 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid?
The IUPAC name of 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid (CID 134961047) is 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid.
What is the SMILES notation for 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid?
The canonical SMILES for 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid is CC(C)[Si](C#Cc1cc2c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1C(=O)O)C(=O)c1ccccc1-2)(C(C)C)C(C)C.
What is the InChIKey of 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid?
The InChIKey is VOAMDUNHDWSHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48O3Si2/c1-22(2)40(23(3)4,24(5)6)19-17-28-21-32-29-15-13-14-16-30(29)35(37)34(32)31(33(28)36(38)39)18-20-41(25(7)8,26(9)10)27(11)12/h13-16,21-27H,1-12H3,(H,38,39).
What are the key properties of 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid?
9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid has a molecular weight of 584.95 g/mol, XLogP of 9.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid is sourced from PubChem (CID 134961047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).