2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione

C32H33NO3Si — CID 102219022

IUPAC2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione
SMILESCCCCN1C(=O)c2cccc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ccc(c23)C1=O
InChIInChI=1S/C32H33NO3Si/c1-5-6-22-33-30(34)26-19-13-18-25-28(21-20-27(29(25)26)31(33)35)36-37(32(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-21H,5-6,22H2,1-4H3
InChIKeySOAXXKHPOZKLIK-UHFFFAOYSA-N
MW507.71 g/mol
LogP6.17
Rot. Bonds7

About 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione

2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione (PubChem CID 102219022) has the molecular formula C32H33NO3Si and a molecular weight of 507.71 g/mol. Its IUPAC name is 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione
PubChem CID102219022
Molecular FormulaC32H33NO3Si
Molecular Weight507.71 g/mol
Exact Mass507.22
IUPAC Name2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione
SMILESCCCCN1C(=O)c2cccc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ccc(c23)C1=O
InChIInChI=1S/C32H33NO3Si/c1-5-6-22-33-30(34)26-19-13-18-25-28(21-20-27(29(25)26)31(33)35)36-37(32(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-21H,5-6,22H2,1-4H3
InChIKeySOAXXKHPOZKLIK-UHFFFAOYSA-N
XLogP6.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.71
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

6-(3-aminopropoxy)-2-butylbenzo[de]isoquinoline-1,3-dione
CID 132536505
2-butyl-6-methylsulfonylbenzo[de]isoquinoline-1,3-dione
CID 154730932
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
3-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)propanoic acid
CID 58821985
5-(2,1,3-benzothiadiazol-4-yl)-2-butyl-7-[tert-butyl(dimethyl)silyl]oxybenzo[de]isoquinoline-1,3-dione
CID 102358778
6-[2-(4-octoxynaphthalen-1-yl)ethynyl]-2-octylbenzo[de]isoquinoline-1,3-dione
CID 102221338
2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11674020
2-butyl-6-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 162640324
2-butyl-6-(2-phenylselanylethylamino)benzo[de]isoquinoline-1,3-dione
CID 70689394
5-(1,3-dioxo-2-pentylbenzo[de]isoquinolin-6-yl)-16-pentyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 102021514
2-butyl-6-[2-[4-(N-[4-[2-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)ethynyl]phenyl]anilino)phenyl]ethynyl]benzo[de]isoquinoline-1,3-dione
CID 102398867
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione (CID 102219022) is 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione is CCCCN1C(=O)c2cccc3c(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ccc(c23)C1=O.
What is the InChIKey of 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is SOAXXKHPOZKLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO3Si/c1-5-6-22-33-30(34)26-19-13-18-25-28(21-20-27(29(25)26)31(33)35)36-37(32(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-21H,5-6,22H2,1-4H3.
What are the key properties of 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione?
2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 507.71 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102219022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).