tris[4-(3-fluorophenyl)phenyl]-phenylsilane

C42H29F3Si — CID 176748674

IUPACtris[4-(3-fluorophenyl)phenyl]-phenylsilane
SMILESFc1cccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H29F3Si/c43-36-10-4-7-33(27-36)30-15-21-40(22-16-30)46(39-13-2-1-3-14-39,41-23-17-31(18-24-41)34-8-5-11-37(44)28-34)42-25-19-32(20-26-42)35-9-6-12-38(45)29-35/h1-29H
InChIKeyYYIKBVDLOGYWJB-UHFFFAOYSA-N
MW618.77 g/mol
LogP8.48
Rot. Bonds7

About tris[4-(3-fluorophenyl)phenyl]-phenylsilane

tris[4-(3-fluorophenyl)phenyl]-phenylsilane (PubChem CID 176748674) has the molecular formula C42H29F3Si and a molecular weight of 618.77 g/mol. Its IUPAC name is tris[4-(3-fluorophenyl)phenyl]-phenylsilane.

Molecular Properties

Compound Nametris[4-(3-fluorophenyl)phenyl]-phenylsilane
PubChem CID176748674
Molecular FormulaC42H29F3Si
Molecular Weight618.77 g/mol
Exact Mass618.20
IUPAC Nametris[4-(3-fluorophenyl)phenyl]-phenylsilane
SMILESFc1cccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C42H29F3Si/c43-36-10-4-7-33(27-36)30-15-21-40(22-16-30)46(39-13-2-1-3-14-39,41-23-17-31(18-24-41)34-8-5-11-37(44)28-34)42-25-19-32(20-26-42)35-9-6-12-38(45)29-35/h1-29H
InChIKeyYYIKBVDLOGYWJB-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.77
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
(4-fluorophenyl)-[4-(4-fluorophenyl)phenyl]-phenyl-(4-phenylphenyl)silane
CID 176748741
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
CID 171056204
2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056482
CID 158909603
CID 158909603
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571

Frequently Asked Questions

What is the IUPAC name of tris[4-(3-fluorophenyl)phenyl]-phenylsilane?
The IUPAC name of tris[4-(3-fluorophenyl)phenyl]-phenylsilane (CID 176748674) is tris[4-(3-fluorophenyl)phenyl]-phenylsilane.
What is the SMILES notation for tris[4-(3-fluorophenyl)phenyl]-phenylsilane?
The canonical SMILES for tris[4-(3-fluorophenyl)phenyl]-phenylsilane is Fc1cccc(-c2ccc([Si](c3ccccc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1.
What is the InChIKey of tris[4-(3-fluorophenyl)phenyl]-phenylsilane?
The InChIKey is YYIKBVDLOGYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29F3Si/c43-36-10-4-7-33(27-36)30-15-21-40(22-16-30)46(39-13-2-1-3-14-39,41-23-17-31(18-24-41)34-8-5-11-37(44)28-34)42-25-19-32(20-26-42)35-9-6-12-38(45)29-35/h1-29H.
What are the key properties of tris[4-(3-fluorophenyl)phenyl]-phenylsilane?
tris[4-(3-fluorophenyl)phenyl]-phenylsilane has a molecular weight of 618.77 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(3-fluorophenyl)phenyl]-phenylsilane is sourced from PubChem (CID 176748674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).