4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]

C28H24O2Si — CID 171608826

IUPAC4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3
InChIKeyIFFIXSQPDHZNKJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.57
Rot. Bonds

About 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]

4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] (PubChem CID 171608826) has the molecular formula C28H24O2Si and a molecular weight of 420.58 g/mol. Its IUPAC name is 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline].

Molecular Properties

Compound Name4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
PubChem CID171608826
Molecular FormulaC28H24O2Si
Molecular Weight420.58 g/mol
Exact Mass420.15
IUPAC Name4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
SMILESCC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3
InChIKeyIFFIXSQPDHZNKJ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-9H-xanthen-9-ol
CID 102278756
2-(3-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]-4-yl)-4-(2,3,5,6-tetraphenylphenyl)pyrimidine
CID 140947895
3,5-ditert-butyl-4-(10,10'-spirobi[benzo[b][1,4]benzoxasiline]-4'-yl)-2-(5,5,6,6-tetramethylbenzo[b][1]benzothiepin-1-yl)pyridine
CID 140937460
4'-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)-10,10'-spirobi[benzo[b][1,4]benzoxasiline]
CID 140961239
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
CID 146793729
CID 175472927
CID 175472927
5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
CID 148942158
2-(2,6-dimethylphenyl)-4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-1,3,5-triazine
CID 155622054
1-tert-butyl-5,5,10,10-tetramethylsilanthrene
CID 174063391
1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
CID 168834764
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
CID 166012590

Frequently Asked Questions

What is the IUPAC name of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The IUPAC name of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] (CID 171608826) is 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline].
What is the SMILES notation for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The canonical SMILES for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] is CC(C)(C)c1cccc2c1Oc1ccccc1[Si]21c2ccccc2Oc2ccccc21.
What is the InChIKey of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
The InChIKey is IFFIXSQPDHZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2Si/c1-28(2,3)19-11-10-18-26-27(19)30-22-14-6-9-17-25(22)31(26)23-15-7-4-12-20(23)29-21-13-5-8-16-24(21)31/h4-18H,1-3H3.
What are the key properties of 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline]?
4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] has a molecular weight of 420.58 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-tert-butyl-10,10'-spirobi[benzo[b][1,4]benzoxasiline] is sourced from PubChem (CID 171608826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).