N-(4-triethoxysilylphenyl)anthracene-1-carboxamide

C27H29NO4Si — CID 89297065

IUPACN-(4-triethoxysilylphenyl)anthracene-1-carboxamide
SMILESCCO[Si](OCC)(OCC)c1ccc(NC(=O)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C27H29NO4Si/c1-4-30-33(31-5-2,32-6-3)24-16-14-23(15-17-24)28-27(29)25-13-9-12-22-18-20-10-7-8-11-21(20)19-26(22)25/h7-19H,4-6H2,1-3H3,(H,28,29)
InChIKeyFEUZYEDQUMAZSE-UHFFFAOYSA-N
MW459.62 g/mol
LogP5.50
Rot. Bonds9

About N-(4-triethoxysilylphenyl)anthracene-1-carboxamide

N-(4-triethoxysilylphenyl)anthracene-1-carboxamide (PubChem CID 89297065) has the molecular formula C27H29NO4Si and a molecular weight of 459.62 g/mol. Its IUPAC name is N-(4-triethoxysilylphenyl)anthracene-1-carboxamide.

Molecular Properties

Compound NameN-(4-triethoxysilylphenyl)anthracene-1-carboxamide
PubChem CID89297065
Molecular FormulaC27H29NO4Si
Molecular Weight459.62 g/mol
Exact Mass459.19
IUPAC NameN-(4-triethoxysilylphenyl)anthracene-1-carboxamide
SMILESCCO[Si](OCC)(OCC)c1ccc(NC(=O)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C27H29NO4Si/c1-4-30-33(31-5-2,32-6-3)24-16-14-23(15-17-24)28-27(29)25-13-9-12-22-18-20-10-7-8-11-21(20)19-26(22)25/h7-19H,4-6H2,1-3H3,(H,28,29)
InChIKeyFEUZYEDQUMAZSE-UHFFFAOYSA-N
XLogP5.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
CID 27902050
N-[4-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]naphthalene-1-carboxamide
CID 4550336
N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
CID 143592435
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of N-(4-triethoxysilylphenyl)anthracene-1-carboxamide?
The IUPAC name of N-(4-triethoxysilylphenyl)anthracene-1-carboxamide (CID 89297065) is N-(4-triethoxysilylphenyl)anthracene-1-carboxamide.
What is the SMILES notation for N-(4-triethoxysilylphenyl)anthracene-1-carboxamide?
The canonical SMILES for N-(4-triethoxysilylphenyl)anthracene-1-carboxamide is CCO[Si](OCC)(OCC)c1ccc(NC(=O)c2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-triethoxysilylphenyl)anthracene-1-carboxamide?
The InChIKey is FEUZYEDQUMAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4Si/c1-4-30-33(31-5-2,32-6-3)24-16-14-23(15-17-24)28-27(29)25-13-9-12-22-18-20-10-7-8-11-21(20)19-26(22)25/h7-19H,4-6H2,1-3H3,(H,28,29).
What are the key properties of N-(4-triethoxysilylphenyl)anthracene-1-carboxamide?
N-(4-triethoxysilylphenyl)anthracene-1-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-triethoxysilylphenyl)anthracene-1-carboxamide is sourced from PubChem (CID 89297065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).