[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane

C29H25F6N3OSi — CID 169052690

IUPAC[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane
SMILESCC(C)(C)c1cc(-c2nccc3c(C(F)(F)F)c([Si](C)(C)c4cnc(C(F)(F)F)nc4)oc23)cc2ccccc12
InChIInChI=1S/C29H25F6N3OSi/c1-27(2,3)21-13-17(12-16-8-6-7-9-19(16)21)23-24-20(10-11-36-23)22(28(30,31)32)25(39-24)40(4,5)18-14-37-26(38-15-18)29(33,34)35/h6-15H,1-5H3
InChIKeyYKSGVNXMXVWFNS-UHFFFAOYSA-N
MW573.61 g/mol
LogP7.60
Rot. Bonds3

About [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane

[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane (PubChem CID 169052690) has the molecular formula C29H25F6N3OSi and a molecular weight of 573.61 g/mol. Its IUPAC name is [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane.

Molecular Properties

Compound Name[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane
PubChem CID169052690
Molecular FormulaC29H25F6N3OSi
Molecular Weight573.61 g/mol
Exact Mass573.17
IUPAC Name[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane
SMILESCC(C)(C)c1cc(-c2nccc3c(C(F)(F)F)c([Si](C)(C)c4cnc(C(F)(F)F)nc4)oc23)cc2ccccc12
InChIInChI=1S/C29H25F6N3OSi/c1-27(2,3)21-13-17(12-16-8-6-7-9-19(16)21)23-24-20(10-11-36-23)22(28(30,31)32)25(39-24)40(4,5)18-14-37-26(38-15-18)29(33,34)35/h6-15H,1-5H3
InChIKeyYKSGVNXMXVWFNS-UHFFFAOYSA-N
XLogP7.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.61
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
CID 176812431
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylfuro[2,3-c]pyridin-2-yl]phenyl]-trimethylgermane
CID 168743416
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)furo[2,3-c]pyridine
CID 171718566
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
13-(4-tert-butylnaphthalen-2-yl)-11-oxa-6,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
CID 171581401
dimethyl-[3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)furo[2,3-c]pyridin-2-yl]-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]silane
CID 170660375
7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660650

Frequently Asked Questions

What is the IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane?
The IUPAC name of [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane (CID 169052690) is [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane.
What is the SMILES notation for [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane?
The canonical SMILES for [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane is CC(C)(C)c1cc(-c2nccc3c(C(F)(F)F)c([Si](C)(C)c4cnc(C(F)(F)F)nc4)oc23)cc2ccccc12.
What is the InChIKey of [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane?
The InChIKey is YKSGVNXMXVWFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F6N3OSi/c1-27(2,3)21-13-17(12-16-8-6-7-9-19(16)21)23-24-20(10-11-36-23)22(28(30,31)32)25(39-24)40(4,5)18-14-37-26(38-15-18)29(33,34)35/h6-15H,1-5H3.
What are the key properties of [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane?
[7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane has a molecular weight of 573.61 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-tert-butylnaphthalen-2-yl)-3-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]-dimethyl-[2-(trifluoromethyl)pyrimidin-5-yl]silane is sourced from PubChem (CID 169052690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).