[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane

C37H31FSi — CID 169293793

IUPAC[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H31FSi/c1-39(2,3)37-22-18-29(19-23-37)27-6-10-31(11-7-27)33-13-15-34-24-32(12-14-35(34)25-33)30-8-4-26(5-9-30)28-16-20-36(38)21-17-28/h4-25H,1-3H3
InChIKeyMMNFXMYHEYTCHG-UHFFFAOYSA-N
MW522.74 g/mol
LogP10.19
Rot. Bonds5

About [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane

[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 169293793) has the molecular formula C37H31FSi and a molecular weight of 522.74 g/mol. Its IUPAC name is [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
PubChem CID169293793
Molecular FormulaC37H31FSi
Molecular Weight522.74 g/mol
Exact Mass522.22
IUPAC Name[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C37H31FSi/c1-39(2,3)37-22-18-29(19-23-37)27-6-10-31(11-7-27)33-13-15-34-24-32(12-14-35(34)25-33)30-8-4-26(5-9-30)28-16-20-36(38)21-17-28/h4-25H,1-3H3
InChIKeyMMNFXMYHEYTCHG-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.74
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (CID 169293793) is [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is MMNFXMYHEYTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FSi/c1-39(2,3)37-22-18-29(19-23-37)27-6-10-31(11-7-27)33-13-15-34-24-32(12-14-35(34)25-33)30-8-4-26(5-9-30)28-16-20-36(38)21-17-28/h4-25H,1-3H3.
What are the key properties of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 522.74 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 169293793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).