[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane

C37H42N2OSi — CID 177122707

IUPAC[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cc([Si](C)(C)C)cc(-c4cc(C(C)(C)C)c5ccccc5c4)n3)c2)c1
InChIInChI=1S/C37H42N2OSi/c1-36(2,3)28-17-18-38-33(22-28)26-14-12-15-29(20-26)40-35-24-30(41(7,8)9)23-34(39-35)27-19-25-13-10-11-16-31(25)32(21-27)37(4,5)6/h10-24H,1-9H3
InChIKeyCKDGRZMNJVHCES-UHFFFAOYSA-N
MW558.84 g/mol
LogP9.90
Rot. Bonds5

About [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane

[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane (PubChem CID 177122707) has the molecular formula C37H42N2OSi and a molecular weight of 558.84 g/mol. Its IUPAC name is [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane
PubChem CID177122707
Molecular FormulaC37H42N2OSi
Molecular Weight558.84 g/mol
Exact Mass558.31
IUPAC Name[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane
SMILESCC(C)(C)c1ccnc(-c2cccc(Oc3cc([Si](C)(C)C)cc(-c4cc(C(C)(C)C)c5ccccc5c4)n3)c2)c1
InChIInChI=1S/C37H42N2OSi/c1-36(2,3)28-17-18-38-33(22-28)26-14-12-15-29(20-26)40-35-24-30(41(7,8)9)23-34(39-35)27-19-25-13-10-11-16-31(25)32(21-27)37(4,5)6/h10-24H,1-9H3
InChIKeyCKDGRZMNJVHCES-UHFFFAOYSA-N
XLogP9.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.84
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
[2-(4-tert-butylnaphthalen-2-yl)-6-[[6-(3-tert-butylphenyl)-2-pyridinyl]oxy]-4-pyridinyl]-trimethylgermane
CID 177122712
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
CID 155643269
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
4-(1-benzofuran-7-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171742214
6-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]furo[2,3-b]pyridine
CID 171741459
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
CID 168743775

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane?
The IUPAC name of [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane (CID 177122707) is [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane.
What is the SMILES notation for [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane?
The canonical SMILES for [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane is CC(C)(C)c1ccnc(-c2cccc(Oc3cc([Si](C)(C)C)cc(-c4cc(C(C)(C)C)c5ccccc5c4)n3)c2)c1.
What is the InChIKey of [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane?
The InChIKey is CKDGRZMNJVHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2OSi/c1-36(2,3)28-17-18-38-33(22-28)26-14-12-15-29(20-26)40-35-24-30(41(7,8)9)23-34(39-35)27-19-25-13-10-11-16-31(25)32(21-27)37(4,5)6/h10-24H,1-9H3.
What are the key properties of [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane?
[2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane has a molecular weight of 558.84 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylnaphthalen-2-yl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]-4-pyridinyl]-trimethylsilane is sourced from PubChem (CID 177122707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).