[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol

C23H24O2SSi — CID 122391065

IUPAC[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol
SMILESC[Si](C)(C)c1c(CO)c(CO)c(-c2ccccc2)c2c1sc1ccccc12
InChIInChI=1S/C23H24O2SSi/c1-27(2,3)23-18(14-25)17(13-24)20(15-9-5-4-6-10-15)21-16-11-7-8-12-19(16)26-22(21)23/h4-12,24-25H,13-14H2,1-3H3
InChIKeyOCIGJYKPLLDOGD-UHFFFAOYSA-N
MW392.60 g/mol
LogP5.25
Rot. Bonds4

About [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol

[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol (PubChem CID 122391065) has the molecular formula C23H24O2SSi and a molecular weight of 392.60 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol
PubChem CID122391065
Molecular FormulaC23H24O2SSi
Molecular Weight392.60 g/mol
Exact Mass392.13
IUPAC Name[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol
SMILESC[Si](C)(C)c1c(CO)c(CO)c(-c2ccccc2)c2c1sc1ccccc12
InChIInChI=1S/C23H24O2SSi/c1-27(2,3)23-18(14-25)17(13-24)20(15-9-5-4-6-10-15)21-16-11-7-8-12-19(16)26-22(21)23/h4-12,24-25H,13-14H2,1-3H3
InChIKeyOCIGJYKPLLDOGD-UHFFFAOYSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenyldibenzothiophene
CID 145331773
(1,4-dimethyl-3-phenyltriphenylen-2-yl)methanol
CID 71733889
4,6-diphenyl-2-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)pyrimidine
CID 162712659
5-bromo-6-phenylnaphtho[2,1-b][1]benzothiole
CID 11165166
2,4-diphenyl-6-[6-(5-phenylnaphthalen-1-yl)naphtho[3,2-b][1]benzothiol-11-yl]-1,3,5-triazine
CID 162712568
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
11-[3-(10-phenylanthracen-9-yl)phenyl]-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122427280
[3-acetyloxy-1-phenyl-4-(trifluoromethyl)dibenzothiophen-2-yl] acetate
CID 25269303
trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
CID 102189384
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
8-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 66661576
5-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426117

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol (CID 122391065) is [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol is C[Si](C)(C)c1c(CO)c(CO)c(-c2ccccc2)c2c1sc1ccccc12.
What is the InChIKey of [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol?
The InChIKey is OCIGJYKPLLDOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2SSi/c1-27(2,3)23-18(14-25)17(13-24)20(15-9-5-4-6-10-15)21-16-11-7-8-12-19(16)26-22(21)23/h4-12,24-25H,13-14H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol?
[3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol has a molecular weight of 392.60 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-phenyl-4-trimethylsilyldibenzothiophen-2-yl]methanol is sourced from PubChem (CID 122391065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).