[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane

C24H22FNOSSi — CID 177073393

IUPAC[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane
SMILESCc1oc2c(sc3c(-c4cc([Si](C)(C)C)c5ccccc5c4)ncc(F)c32)c1C
InChIInChI=1S/C24H22FNOSSi/c1-13-14(2)27-22-20-18(25)12-26-21(24(20)28-23(13)22)16-10-15-8-6-7-9-17(15)19(11-16)29(3,4)5/h6-12H,1-5H3
InChIKeyLUBQDALAPLHXQG-UHFFFAOYSA-N
MW419.60 g/mol
LogP7.16
Rot. Bonds2

About [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane

[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane (PubChem CID 177073393) has the molecular formula C24H22FNOSSi and a molecular weight of 419.60 g/mol. Its IUPAC name is [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane
PubChem CID177073393
Molecular FormulaC24H22FNOSSi
Molecular Weight419.60 g/mol
Exact Mass419.12
IUPAC Name[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane
SMILESCc1oc2c(sc3c(-c4cc([Si](C)(C)C)c5ccccc5c4)ncc(F)c32)c1C
InChIInChI=1S/C24H22FNOSSi/c1-13-14(2)27-22-20-18(25)12-26-21(24(20)28-23(13)22)16-10-15-8-6-7-9-17(15)19(11-16)29(3,4)5/h6-12H,1-5H3
InChIKeyLUBQDALAPLHXQG-UHFFFAOYSA-N
XLogP7.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane with MolForge

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-3-fluoro-16-oxa-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10,12,14-heptaene
CID 177073361
trimethyl-[3-[8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]silane
CID 170932025
dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane
CID 176855311
trimethyl-[3-[7-methyl-6-[tris(2-methylpropyl)silyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
CID 176855366
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
[8-(4-tert-butylnaphthalen-2-yl)-4,5-dimethyl-12-oxa-3-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-11-yl]-trimethylsilane
CID 172520343
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[3-(4-fluoro-7,8-dimethyl-[1]benzothiolo[2,3-c]pyridin-1-yl)-4H-naphthalen-4-id-1-yl]-trimethylsilane;iridium
CID 177073356
trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
CID 170932085
7-(2,2-dimethylpropyl)-1-(4-fluoronaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridine-4-carbonitrile
CID 177073375
[3-(5,6-dihydrobenzo[f]quinolin-3-yl)naphthalen-1-yl]-trimethylsilane
CID 177070409
[3-(5,6-dihydropyrido[3,2-h]quinazolin-4-yl)naphthalen-1-yl]-trimethylsilane
CID 177070391
trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921

Frequently Asked Questions

What is the IUPAC name of [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane?
The IUPAC name of [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane (CID 177073393) is [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane is Cc1oc2c(sc3c(-c4cc([Si](C)(C)C)c5ccccc5c4)ncc(F)c32)c1C.
What is the InChIKey of [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane?
The InChIKey is LUBQDALAPLHXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNOSSi/c1-13-14(2)27-22-20-18(25)12-26-21(24(20)28-23(13)22)16-10-15-8-6-7-9-17(15)19(11-16)29(3,4)5/h6-12H,1-5H3.
What are the key properties of [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane?
[3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane has a molecular weight of 419.60 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(12-fluoro-4,5-dimethyl-3-oxa-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl)naphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 177073393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).