(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole

C23H24Si — CID 102487155

IUPAC(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si@](c1ccccc1)(C(C)(C)C)c1ccccc1-2
InChIInChI=1S/C23H24Si/c1-17-14-15-20-19-12-8-9-13-21(19)24(22(20)16-17,23(2,3)4)18-10-6-5-7-11-18/h5-16H,1-4H3/t24-/m1/s1
InChIKeyWRKGEEMVGKYEGV-XMMPIXPASA-N
MW328.53 g/mol
LogP4.25
Rot. Bonds1

About (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole

(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole (PubChem CID 102487155) has the molecular formula C23H24Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
PubChem CID102487155
Molecular FormulaC23H24Si
Molecular Weight328.53 g/mol
Exact Mass328.16
IUPAC Name(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole
SMILESCc1ccc2c(c1)[Si@](c1ccccc1)(C(C)(C)C)c1ccccc1-2
InChIInChI=1S/C23H24Si/c1-17-14-15-20-19-12-8-9-13-21(19)24(22(20)16-17,23(2,3)4)18-10-6-5-7-11-18/h5-16H,1-4H3/t24-/m1/s1
InChIKeyWRKGEEMVGKYEGV-XMMPIXPASA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59167435
5,14-dimethyl-8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 176637820
4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 171436554
3,5,5,6,6,7,7-heptamethylbenzo[d][1,3]benzodisilepine
CID 171731157
2-methoxy-3,8-dimethyl-5,5,6,6-tetraphenylbenzo[c][1,2]benzodisiline
CID 59167389
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 149181119
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
6-tert-butyl-6-phenylnaphtho[1,2-c][2,1]benzoxasiline
CID 101484245
18-methyl-21,21-diphenyl-4,11-diaza-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 152972287

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole?
The IUPAC name of (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole (CID 102487155) is (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole.
What is the SMILES notation for (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole?
The canonical SMILES for (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole is Cc1ccc2c(c1)[Si@](c1ccccc1)(C(C)(C)C)c1ccccc1-2.
What is the InChIKey of (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole?
The InChIKey is WRKGEEMVGKYEGV-XMMPIXPASA-N. The full InChI is InChI=1S/C23H24Si/c1-17-14-15-20-19-12-8-9-13-21(19)24(22(20)16-17,23(2,3)4)18-10-6-5-7-11-18/h5-16H,1-4H3/t24-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole?
(5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole has a molecular weight of 328.53 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-3-methyl-5-phenylbenzo[b][1]benzosilole is sourced from PubChem (CID 102487155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).