[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane

C44H40N2Si — CID 161355015

IUPAC[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
SMILESC.C[Si](C)(C)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C43H36N2Si.CH4/c1-46(2,3)37-29-35(40-14-6-4-12-38(40)31-18-22-33(23-19-31)42-16-8-10-26-44-42)28-36(30-37)41-15-7-5-13-39(41)32-20-24-34(25-21-32)43-17-9-11-27-45-43;/h4-30H,1-3H3;1H4
InChIKeyVOKRDBDWJNUVIW-UHFFFAOYSA-N
MW624.90 g/mol
LogP11.66
Rot. Bonds7

About [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane

[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane (PubChem CID 161355015) has the molecular formula C44H40N2Si and a molecular weight of 624.90 g/mol. Its IUPAC name is [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane.

Molecular Properties

Compound Name[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
PubChem CID161355015
Molecular FormulaC44H40N2Si
Molecular Weight624.90 g/mol
Exact Mass624.30
IUPAC Name[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
SMILESC.C[Si](C)(C)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C43H36N2Si.CH4/c1-46(2,3)37-29-35(40-14-6-4-12-38(40)31-18-22-33(23-19-31)42-16-8-10-26-44-42)28-36(30-37)41-15-7-5-13-39(41)32-20-24-34(25-21-32)43-17-9-11-27-45-43;/h4-30H,1-3H3;1H4
InChIKeyVOKRDBDWJNUVIW-UHFFFAOYSA-N
XLogP11.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.90
LogP ≤ 511.66
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

4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
CID 171056391
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane?
The IUPAC name of [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane (CID 161355015) is [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane.
What is the SMILES notation for [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane?
The canonical SMILES for [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane is C.C[Si](C)(C)c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane?
The InChIKey is VOKRDBDWJNUVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N2Si.CH4/c1-46(2,3)37-29-35(40-14-6-4-12-38(40)31-18-22-33(23-19-31)42-16-8-10-26-44-42)28-36(30-37)41-15-7-5-13-39(41)32-20-24-34(25-21-32)43-17-9-11-27-45-43;/h4-30H,1-3H3;1H4.
What are the key properties of [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane?
[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane has a molecular weight of 624.90 g/mol, XLogP of 11.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane is sourced from PubChem (CID 161355015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).