tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane

C48H33F3Si — CID 176748689

IUPACtris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
SMILESFc1cccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C48H33F3Si/c49-42-12-4-9-39(31-42)36-17-25-46(26-18-36)52(45-23-15-35(16-24-45)34-7-2-1-3-8-34,47-27-19-37(20-28-47)40-10-5-13-43(50)32-40)48-29-21-38(22-30-48)41-11-6-14-44(51)33-41/h1-33H
InChIKeyAJBYEHBINAUVFU-UHFFFAOYSA-N
MW694.87 g/mol
LogP10.15
Rot. Bonds8

About tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane

tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane (PubChem CID 176748689) has the molecular formula C48H33F3Si and a molecular weight of 694.87 g/mol. Its IUPAC name is tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane.

Molecular Properties

Compound Nametris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
PubChem CID176748689
Molecular FormulaC48H33F3Si
Molecular Weight694.87 g/mol
Exact Mass694.23
IUPAC Nametris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
SMILESFc1cccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C48H33F3Si/c49-42-12-4-9-39(31-42)36-17-25-46(26-18-36)52(45-23-15-35(16-24-45)34-7-2-1-3-8-34,47-27-19-37(20-28-47)40-10-5-13-43(50)32-40)48-29-21-38(22-30-48)41-11-6-14-44(51)33-41/h1-33H
InChIKeyAJBYEHBINAUVFU-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.87
LogP ≤ 510.15
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]-phenylsilane
CID 176748674
(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
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
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
CID 90170463
(3-bromophenyl)-tris(4-phenylphenyl)silane
CID 169002873
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane?
The IUPAC name of tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane (CID 176748689) is tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane.
What is the SMILES notation for tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane?
The canonical SMILES for tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane is Fc1cccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4cccc(F)c4)cc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1.
What is the InChIKey of tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane?
The InChIKey is AJBYEHBINAUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F3Si/c49-42-12-4-9-39(31-42)36-17-25-46(26-18-36)52(45-23-15-35(16-24-45)34-7-2-1-3-8-34,47-27-19-37(20-28-47)40-10-5-13-43(50)32-40)48-29-21-38(22-30-48)41-11-6-14-44(51)33-41/h1-33H.
What are the key properties of tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane?
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane has a molecular weight of 694.87 g/mol, XLogP of 10.15, 8 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]-(4-phenylphenyl)silane is sourced from PubChem (CID 176748689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).