3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine

C24H35NO2Si — CID 170744424

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine
SMILESCNc1cc2c(cc1C)-c1cc(C)c(O[Si](C)(C)C(C)(C)C)cc1OC2(C)C
InChIInChI=1S/C24H35NO2Si/c1-15-11-17-18-12-16(2)21(27-28(9,10)23(3,4)5)14-22(18)26-24(6,7)19(17)13-20(15)25-8/h11-14,25H,1-10H3
InChIKeyASXMYSWYEVIRTL-UHFFFAOYSA-N
MW397.64 g/mol
LogP7.02
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine

3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine (PubChem CID 170744424) has the molecular formula C24H35NO2Si and a molecular weight of 397.64 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine
PubChem CID170744424
Molecular FormulaC24H35NO2Si
Molecular Weight397.64 g/mol
Exact Mass397.24
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine
SMILESCNc1cc2c(cc1C)-c1cc(C)c(O[Si](C)(C)C(C)(C)C)cc1OC2(C)C
InChIInChI=1S/C24H35NO2Si/c1-15-11-17-18-12-16(2)21(27-28(9,10)23(3,4)5)14-22(18)26-24(6,7)19(17)13-20(15)25-8/h11-14,25H,1-10H3
InChIKeyASXMYSWYEVIRTL-UHFFFAOYSA-N
XLogP7.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine (CID 170744424) is 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine is CNc1cc2c(cc1C)-c1cc(C)c(O[Si](C)(C)C(C)(C)C)cc1OC2(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine?
The InChIKey is ASXMYSWYEVIRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-15-11-17-18-12-16(2)21(27-28(9,10)23(3,4)5)14-22(18)26-24(6,7)19(17)13-20(15)25-8/h11-14,25H,1-10H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine?
3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine has a molecular weight of 397.64 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-N,2,6,6,9-pentamethylbenzo[c]chromen-8-amine is sourced from PubChem (CID 170744424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).