4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid

C23H26O2Si2 — CID 10000488

IUPAC4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid
SMILESC[Si]1(C)CC[Si](C)(C)c2cc3cc(-c4ccc(C(=O)O)cc4)ccc3cc21
InChIInChI=1S/C23H26O2Si2/c1-26(2)11-12-27(3,4)22-15-20-13-18(9-10-19(20)14-21(22)26)16-5-7-17(8-6-16)23(24)25/h5-10,13-15H,11-12H2,1-4H3,(H,24,25)
InChIKeyWIYAVAVSMLGQRV-UHFFFAOYSA-N
MW390.63 g/mol
LogP5.05
Rot. Bonds2

About 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid

4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid (PubChem CID 10000488) has the molecular formula C23H26O2Si2 and a molecular weight of 390.63 g/mol. Its IUPAC name is 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid
PubChem CID10000488
Molecular FormulaC23H26O2Si2
Molecular Weight390.63 g/mol
Exact Mass390.15
IUPAC Name4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid
SMILESC[Si]1(C)CC[Si](C)(C)c2cc3cc(-c4ccc(C(=O)O)cc4)ccc3cc21
InChIInChI=1S/C23H26O2Si2/c1-26(2)11-12-27(3,4)22-15-20-13-18(9-10-19(20)14-21(22)26)16-5-7-17(8-6-16)23(24)25/h5-10,13-15H,11-12H2,1-4H3,(H,24,25)
InChIKeyWIYAVAVSMLGQRV-UHFFFAOYSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
CID 86081762
4-[2-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)ethynyl]benzoic acid
CID 66560360
5-[6-(3,5-dicarboxyphenyl)anthracen-2-yl]benzene-1,3-dicarboxylic acid
CID 102105468
4-(4-carboxyphenyl)benzoic acid;naphthalene-2,6-dicarboxylic acid;(E)-4-oxopent-2-enoic acid;terephthalic acid
CID 161449325
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
4-[4-(4-methyl-N-(6-methylnaphthalen-2-yl)anilino)phenyl]benzoic acid
CID 139957851

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid?
The IUPAC name of 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid (CID 10000488) is 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid.
What is the SMILES notation for 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid?
The canonical SMILES for 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid is C[Si]1(C)CC[Si](C)(C)c2cc3cc(-c4ccc(C(=O)O)cc4)ccc3cc21.
What is the InChIKey of 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid?
The InChIKey is WIYAVAVSMLGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2Si2/c1-26(2)11-12-27(3,4)22-15-20-13-18(9-10-19(20)14-21(22)26)16-5-7-17(8-6-16)23(24)25/h5-10,13-15H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid?
4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid has a molecular weight of 390.63 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid is sourced from PubChem (CID 10000488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).