4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane

C30H36ClFSi — CID 23367446

IUPAC4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane
SMILESCCCCC[Si]1(F)CCC(c2ccc(-c3ccc(CCc4ccc(Cl)cc4)cc3)cc2)CC1
InChIInChI=1S/C30H36ClFSi/c1-2-3-4-21-33(32)22-19-29(20-23-33)28-15-13-27(14-16-28)26-11-7-24(8-12-26)5-6-25-9-17-30(31)18-10-25/h7-18,29H,2-6,19-23H2,1H3
InChIKeyBIKYGYSSGJYIPV-UHFFFAOYSA-N
MW479.16 g/mol
LogP9.77
Rot. Bonds9

About 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane

4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane (PubChem CID 23367446) has the molecular formula C30H36ClFSi and a molecular weight of 479.16 g/mol. Its IUPAC name is 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane.

Molecular Properties

Compound Name4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane
PubChem CID23367446
Molecular FormulaC30H36ClFSi
Molecular Weight479.16 g/mol
Exact Mass478.23
IUPAC Name4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane
SMILESCCCCC[Si]1(F)CCC(c2ccc(-c3ccc(CCc4ccc(Cl)cc4)cc3)cc2)CC1
InChIInChI=1S/C30H36ClFSi/c1-2-3-4-21-33(32)22-19-29(20-23-33)28-15-13-27(14-16-28)26-11-7-24(8-12-26)5-6-25-9-17-30(31)18-10-25/h7-18,29H,2-6,19-23H2,1H3
InChIKeyBIKYGYSSGJYIPV-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.16
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane?
The IUPAC name of 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane (CID 23367446) is 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane.
What is the SMILES notation for 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane?
The canonical SMILES for 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane is CCCCC[Si]1(F)CCC(c2ccc(-c3ccc(CCc4ccc(Cl)cc4)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane?
The InChIKey is BIKYGYSSGJYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClFSi/c1-2-3-4-21-33(32)22-19-29(20-23-33)28-15-13-27(14-16-28)26-11-7-24(8-12-26)5-6-25-9-17-30(31)18-10-25/h7-18,29H,2-6,19-23H2,1H3.
What are the key properties of 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane?
4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane has a molecular weight of 479.16 g/mol, XLogP of 9.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(4-chlorophenyl)ethyl]phenyl]phenyl]-1-fluoro-1-pentylsilinane is sourced from PubChem (CID 23367446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).