anthracene-9-carboxylic acid;dibromo(butyl)silane

C19H20Br2O2Si — CID 173129114

IUPACanthracene-9-carboxylic acid;dibromo(butyl)silane
SMILESCCCC[SiH](Br)Br.O=C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10O2.C4H10Br2Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-3-4-7(5)6/h1-9H,(H,16,17);7H,2-4H2,1H3
InChIKeyGWPSAXNKAVHIQQ-UHFFFAOYSA-N
MW468.26 g/mol
LogP6.49
Rot. Bonds4

About anthracene-9-carboxylic acid;dibromo(butyl)silane

anthracene-9-carboxylic acid;dibromo(butyl)silane (PubChem CID 173129114) has the molecular formula C19H20Br2O2Si and a molecular weight of 468.26 g/mol. Its IUPAC name is anthracene-9-carboxylic acid;dibromo(butyl)silane.

Molecular Properties

Compound Nameanthracene-9-carboxylic acid;dibromo(butyl)silane
PubChem CID173129114
Molecular FormulaC19H20Br2O2Si
Molecular Weight468.26 g/mol
Exact Mass465.96
IUPAC Nameanthracene-9-carboxylic acid;dibromo(butyl)silane
SMILESCCCC[SiH](Br)Br.O=C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10O2.C4H10Br2Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-3-4-7(5)6/h1-9H,(H,16,17);7H,2-4H2,1H3
InChIKeyGWPSAXNKAVHIQQ-UHFFFAOYSA-N
XLogP6.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.26
LogP ≤ 56.49
H-Bond Donors ≤ 51
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
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2-pentylnaphthalene-1-carboxylic acid
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2-butylanthracene-1-carboxylic acid
CID 14598495
azane;2,3-dihexylnaphthalene-1-carboxylic acid
CID 70170579
calcium;2,3-di(nonyl)naphthalene-1-carboxylic acid;hydride
CID 174547985
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
2,3-dibenzylnaphthalene-1-carboxylic acid
CID 141413353
1-iodyl-3-octadecoxynaphthalene-2-carboxylic acid
CID 23357103
1-(diethoxy-hydroxy-methyl-λ5-phosphanyl)anthracene-9-carboxylic acid
CID 174549917
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397

Frequently Asked Questions

What is the IUPAC name of anthracene-9-carboxylic acid;dibromo(butyl)silane?
The IUPAC name of anthracene-9-carboxylic acid;dibromo(butyl)silane (CID 173129114) is anthracene-9-carboxylic acid;dibromo(butyl)silane.
What is the SMILES notation for anthracene-9-carboxylic acid;dibromo(butyl)silane?
The canonical SMILES for anthracene-9-carboxylic acid;dibromo(butyl)silane is CCCC[SiH](Br)Br.O=C(O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracene-9-carboxylic acid;dibromo(butyl)silane?
The InChIKey is GWPSAXNKAVHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.C4H10Br2Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-3-4-7(5)6/h1-9H,(H,16,17);7H,2-4H2,1H3.
What are the key properties of anthracene-9-carboxylic acid;dibromo(butyl)silane?
anthracene-9-carboxylic acid;dibromo(butyl)silane has a molecular weight of 468.26 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9-carboxylic acid;dibromo(butyl)silane is sourced from PubChem (CID 173129114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).