[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate

C30H29NO3Si — CID 18987972

IUPAC[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(OC(=O)c3c4ccccc4nc4ccccc34)cccc2c1
InChIInChI=1S/C30H29NO3Si/c1-30(2,3)35(4,5)34-21-17-18-22-20(19-21)11-10-16-27(22)33-29(32)28-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)28/h6-19H,1-5H3
InChIKeyQCCUNRFUSPOGLR-UHFFFAOYSA-N
MW479.65 g/mol
LogP8.14
Rot. Bonds4

About [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate

[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate (PubChem CID 18987972) has the molecular formula C30H29NO3Si and a molecular weight of 479.65 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate
PubChem CID18987972
Molecular FormulaC30H29NO3Si
Molecular Weight479.65 g/mol
Exact Mass479.19
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(OC(=O)c3c4ccccc4nc4ccccc34)cccc2c1
InChIInChI=1S/C30H29NO3Si/c1-30(2,3)35(4,5)34-21-17-18-22-20(19-21)11-10-16-27(22)33-29(32)28-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)28/h6-19H,1-5H3
InChIKeyQCCUNRFUSPOGLR-UHFFFAOYSA-N
XLogP8.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate (CID 18987972) is [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate is CC(C)(C)[Si](C)(C)Oc1ccc2c(OC(=O)c3c4ccccc4nc4ccccc34)cccc2c1.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate?
The InChIKey is QCCUNRFUSPOGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3Si/c1-30(2,3)35(4,5)34-21-17-18-22-20(19-21)11-10-16-27(22)33-29(32)28-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)28/h6-19H,1-5H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate?
[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate has a molecular weight of 479.65 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate is sourced from PubChem (CID 18987972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).