7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline

C29H22FN — CID 170294733

IUPAC7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
SMILESCCc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(F)cc5)cc4)cnc3c2)cc1
InChIInChI=1S/C29H22FN/c1-2-20-3-5-23(6-4-20)25-11-12-26-17-27(19-31-29(26)18-25)24-9-7-21(8-10-24)22-13-15-28(30)16-14-22/h3-19H,2H2,1H3
InChIKeySTMHOBJCYBHZCX-UHFFFAOYSA-N
MW403.50 g/mol
LogP7.94
Rot. Bonds4

About 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline

7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline (PubChem CID 170294733) has the molecular formula C29H22FN and a molecular weight of 403.50 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline.

Molecular Properties

Compound Name7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
PubChem CID170294733
Molecular FormulaC29H22FN
Molecular Weight403.50 g/mol
Exact Mass403.17
IUPAC Name7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline
SMILESCCc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(F)cc5)cc4)cnc3c2)cc1
InChIInChI=1S/C29H22FN/c1-2-20-3-5-23(6-4-20)25-11-12-26-17-27(19-31-29(26)18-25)24-9-7-21(8-10-24)22-13-15-28(30)16-14-22/h3-19H,2H2,1H3
InChIKeySTMHOBJCYBHZCX-UHFFFAOYSA-N
XLogP7.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline?
The IUPAC name of 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline (CID 170294733) is 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline.
What is the SMILES notation for 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline?
The canonical SMILES for 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline is CCc1ccc(-c2ccc3cc(-c4ccc(-c5ccc(F)cc5)cc4)cnc3c2)cc1.
What is the InChIKey of 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline?
The InChIKey is STMHOBJCYBHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN/c1-2-20-3-5-23(6-4-20)25-11-12-26-17-27(19-31-29(26)18-25)24-9-7-21(8-10-24)22-13-15-28(30)16-14-22/h3-19H,2H2,1H3.
What are the key properties of 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline?
7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline has a molecular weight of 403.50 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-3-[4-(4-fluorophenyl)phenyl]quinoline is sourced from PubChem (CID 170294733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).