dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane

C33H44N2SSi2 — CID 176855311

IUPACdicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane
SMILESCc1c([Si](C)(C2CCCCC2)C2CCCCC2)sc2c(-c3cc([Si](C)(C)C)c4ccccc4c3)ncnc12
InChIInChI=1S/C33H44N2SSi2/c1-23-30-32(36-33(23)38(5,26-15-8-6-9-16-26)27-17-10-7-11-18-27)31(35-22-34-30)25-20-24-14-12-13-19-28(24)29(21-25)37(2,3)4/h12-14,19-22,26-27H,6-11,15-18H2,1-5H3
InChIKeyYLOVOIGDTGUXSO-UHFFFAOYSA-N
MW556.97 g/mol
LogP9.32
Rot. Bonds5

About dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane

dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane (PubChem CID 176855311) has the molecular formula C33H44N2SSi2 and a molecular weight of 556.97 g/mol. Its IUPAC name is dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane.

Molecular Properties

Compound Namedicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane
PubChem CID176855311
Molecular FormulaC33H44N2SSi2
Molecular Weight556.97 g/mol
Exact Mass556.28
IUPAC Namedicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane
SMILESCc1c([Si](C)(C2CCCCC2)C2CCCCC2)sc2c(-c3cc([Si](C)(C)C)c4ccccc4c3)ncnc12
InChIInChI=1S/C33H44N2SSi2/c1-23-30-32(36-33(23)38(5,26-15-8-6-9-16-26)27-17-10-7-11-18-27)31(35-22-34-30)25-20-24-14-12-13-19-28(24)29(21-25)37(2,3)4/h12-14,19-22,26-27H,6-11,15-18H2,1-5H3
InChIKeyYLOVOIGDTGUXSO-UHFFFAOYSA-N
XLogP9.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.97
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilyl-1H-naphthalen-1-id-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 176855413
[3-[7-(cyclopentylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-triethylsilane
CID 176855323
4-(4-tert-butylnaphthalen-2-yl)-7-methyl-6-(4-spiro[5.5]undecan-3-ylphenyl)thieno[3,2-d]pyrimidine
CID 163430215
4-(4-tert-butylnaphthalen-2-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine
CID 163493015
trimethyl-[3-[7-methyl-6-[tris(2-methylpropyl)silyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
CID 176855366
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(propan-2-yl)silane
CID 170660435
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-cyclohexyl-di(pentan-3-yl)silane
CID 170660437
[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
[3-(5,6-dihydropyrido[3,2-h]quinazolin-4-yl)naphthalen-1-yl]-trimethylsilane
CID 177070391
trimethyl-[3-[6-(2-methylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]silane
CID 170932085
[3-[7-(2,2-difluoroethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-triethylsilane
CID 176623417
[3-[7-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-tri(propan-2-yl)silane
CID 176855199

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane?
The IUPAC name of dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane (CID 176855311) is dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane.
What is the SMILES notation for dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane?
The canonical SMILES for dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane is Cc1c([Si](C)(C2CCCCC2)C2CCCCC2)sc2c(-c3cc([Si](C)(C)C)c4ccccc4c3)ncnc12.
What is the InChIKey of dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane?
The InChIKey is YLOVOIGDTGUXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2SSi2/c1-23-30-32(36-33(23)38(5,26-15-8-6-9-16-26)27-17-10-7-11-18-27)31(35-22-34-30)25-20-24-14-12-13-19-28(24)29(21-25)37(2,3)4/h12-14,19-22,26-27H,6-11,15-18H2,1-5H3.
What are the key properties of dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane?
dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane has a molecular weight of 556.97 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-methyl-[7-methyl-4-(4-trimethylsilylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-6-yl]silane is sourced from PubChem (CID 176855311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).