[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane

C34H33NOSi — CID 171764340

IUPAC[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1cc(-c2nccc3oc4c(-c5ccc([Si](C)(C)C)cc5)cccc4c23)cc2ccccc12
InChIInChI=1S/C34H33NOSi/c1-34(2,3)29-21-24(20-23-10-7-8-11-26(23)29)32-31-28-13-9-12-27(33(28)36-30(31)18-19-35-32)22-14-16-25(17-15-22)37(4,5)6/h7-21H,1-6H3
InChIKeyDQPHFHRXPVZSSO-UHFFFAOYSA-N
MW499.73 g/mol
LogP9.31
Rot. Bonds3

About [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane

[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane (PubChem CID 171764340) has the molecular formula C34H33NOSi and a molecular weight of 499.73 g/mol. Its IUPAC name is [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
PubChem CID171764340
Molecular FormulaC34H33NOSi
Molecular Weight499.73 g/mol
Exact Mass499.23
IUPAC Name[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1cc(-c2nccc3oc4c(-c5ccc([Si](C)(C)C)cc5)cccc4c23)cc2ccccc12
InChIInChI=1S/C34H33NOSi/c1-34(2,3)29-21-24(20-23-10-7-8-11-26(23)29)32-31-28-13-9-12-27(33(28)36-30(31)18-19-35-32)22-14-16-25(17-15-22)37(4,5)6/h7-21H,1-6H3
InChIKeyDQPHFHRXPVZSSO-UHFFFAOYSA-N
XLogP9.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.73
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylgermane
CID 171764285
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)furo[3,2-c]pyridine
CID 171718233
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-5-yl)furo[3,2-c]pyridine
CID 171718181
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzothiophen-5-yl)furo[3,2-c]pyridine
CID 171718340
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
12-(4-tert-butylnaphthalen-2-yl)-17-oxa-4,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581504
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzothiophen-4-yl)furo[2,3-c]pyridine
CID 171718247
[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane
CID 171747851
[4-[7-(4-dibenzofuran-4-ylphenyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293942
trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
CID 177091525

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane (CID 171764340) is [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane is CC(C)(C)c1cc(-c2nccc3oc4c(-c5ccc([Si](C)(C)C)cc5)cccc4c23)cc2ccccc12.
What is the InChIKey of [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane?
The InChIKey is DQPHFHRXPVZSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NOSi/c1-34(2,3)29-21-24(20-23-10-7-8-11-26(23)29)32-31-28-13-9-12-27(33(28)36-30(31)18-19-35-32)22-14-16-25(17-15-22)37(4,5)6/h7-21H,1-6H3.
What are the key properties of [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane?
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane has a molecular weight of 499.73 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 171764340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).