2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene

C28H19F — CID 171056204

IUPAC2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
SMILESFc1cccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c1
InChIInChI=1S/C28H19F/c29-28-10-4-9-26(19-28)22-13-11-21(12-14-22)24-7-3-8-25(17-24)27-16-15-20-5-1-2-6-23(20)18-27/h1-19H
InChIKeyDEUWOAGVCFYKLE-UHFFFAOYSA-N
MW374.46 g/mol
LogP7.98
Rot. Bonds3

About 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene

2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene (PubChem CID 171056204) has the molecular formula C28H19F and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
PubChem CID171056204
Molecular FormulaC28H19F
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC Name2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
SMILESFc1cccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c1
InChIInChI=1S/C28H19F/c29-28-10-4-9-26(19-28)22-13-11-21(12-14-22)24-7-3-8-25(17-24)27-16-15-20-5-1-2-6-23(20)18-27/h1-19H
InChIKeyDEUWOAGVCFYKLE-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene?
The IUPAC name of 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene (CID 171056204) is 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene is Fc1cccc(-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c1.
What is the InChIKey of 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene?
The InChIKey is DEUWOAGVCFYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F/c29-28-10-4-9-26(19-28)22-13-11-21(12-14-22)24-7-3-8-25(17-24)27-16-15-20-5-1-2-6-23(20)18-27/h1-19H.
What are the key properties of 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene?
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene has a molecular weight of 374.46 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 171056204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).