1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene

C48H32F2 — CID 58320925

IUPAC1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H32F2/c49-47-29-25-45(26-30-47)43-21-17-41(18-22-43)39-13-9-37(10-14-39)35-5-1-33(2-6-35)34-3-7-36(8-4-34)38-11-15-40(16-12-38)42-19-23-44(24-20-42)46-27-31-48(50)32-28-46/h1-32H
InChIKeyWKNDQJSEVMFUJW-UHFFFAOYSA-N
MW646.78 g/mol
LogP13.63
Rot. Bonds7

About 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 58320925) has the molecular formula C48H32F2 and a molecular weight of 646.78 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID58320925
Molecular FormulaC48H32F2
Molecular Weight646.78 g/mol
Exact Mass646.25
IUPAC Name1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H32F2/c49-47-29-25-45(26-30-47)43-21-17-41(18-22-43)39-13-9-37(10-14-39)35-5-1-33(2-6-35)34-3-7-36(8-4-34)38-11-15-40(16-12-38)42-19-23-44(24-20-42)46-27-31-48(50)32-28-46/h1-32H
InChIKeyWKNDQJSEVMFUJW-UHFFFAOYSA-N
XLogP13.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.78
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene (CID 58320925) is 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene is Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is WKNDQJSEVMFUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32F2/c49-47-29-25-45(26-30-47)43-21-17-41(18-22-43)39-13-9-37(10-14-39)35-5-1-33(2-6-35)34-3-7-36(8-4-34)38-11-15-40(16-12-38)42-19-23-44(24-20-42)46-27-31-48(50)32-28-46/h1-32H.
What are the key properties of 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 646.78 g/mol, XLogP of 13.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 58320925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).