(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline

C26H24OSi — CID 102346688

IUPAC(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline
SMILESCC(C)(C)[Si@]1(c2ccccc2)Oc2cc3ccccc3cc2-c2ccccc21
InChIInChI=1S/C26H24OSi/c1-26(2,3)28(21-13-5-4-6-14-21)25-16-10-9-15-22(25)23-17-19-11-7-8-12-20(19)18-24(23)27-28/h4-18H,1-3H3/t28-/m1/s1
InChIKeyXMSRMLVMTZZLDR-MUUNZHRXSA-N
MW380.56 g/mol
LogP5.76
Rot. Bonds1

About (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline

(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline (PubChem CID 102346688) has the molecular formula C26H24OSi and a molecular weight of 380.56 g/mol. Its IUPAC name is (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline.

Molecular Properties

Compound Name(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline
PubChem CID102346688
Molecular FormulaC26H24OSi
Molecular Weight380.56 g/mol
Exact Mass380.16
IUPAC Name(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline
SMILESCC(C)(C)[Si@]1(c2ccccc2)Oc2cc3ccccc3cc2-c2ccccc21
InChIInChI=1S/C26H24OSi/c1-26(2,3)28(21-13-5-4-6-14-21)25-16-10-9-15-22(25)23-17-19-11-7-8-12-20(19)18-24(23)27-28/h4-18H,1-3H3/t28-/m1/s1
InChIKeyXMSRMLVMTZZLDR-MUUNZHRXSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-6-phenylnaphtho[1,2-c][2,1]benzoxasiline
CID 101484245
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
CID 102487155
5-methyl-5-naphthalen-2-ylbenzo[b][1]benzosilole
CID 162024536
dodecakis(2,2-dimethylpropane);5,5-diphenylbenzo[b][1]benzosilole;5,5-diphenylnaphtho[2,3-b][1]benzosilole;7,7-diphenylnaphtho[2,1-b][1]benzosilole;11,11-diphenylnaphtho[1,2-b][1]benzosilole;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-diphenyl-12-silapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 165065368
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
CID 140775315
2-(3-phenylnaphthalen-2-yl)propan-2-ol
CID 59806754
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
CID 166012590
1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene
CID 157458323
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline?
The IUPAC name of (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline (CID 102346688) is (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline.
What is the SMILES notation for (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline?
The canonical SMILES for (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline is CC(C)(C)[Si@]1(c2ccccc2)Oc2cc3ccccc3cc2-c2ccccc21.
What is the InChIKey of (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline?
The InChIKey is XMSRMLVMTZZLDR-MUUNZHRXSA-N. The full InChI is InChI=1S/C26H24OSi/c1-26(2,3)28(21-13-5-4-6-14-21)25-16-10-9-15-22(25)23-17-19-11-7-8-12-20(19)18-24(23)27-28/h4-18H,1-3H3/t28-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline?
(5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline has a molecular weight of 380.56 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-5-phenylnaphtho[2,3-c][2,1]benzoxasiline is sourced from PubChem (CID 102346688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).