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

C33H22FN — CID 171056620

IUPAC3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
SMILESFc1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6ccccc6c5)cc4)cc3)cc2)c1
InChIInChI=1S/C33H22FN/c34-32-6-3-5-29(21-32)27-16-12-25(13-17-27)23-8-10-24(11-9-23)26-14-18-28(19-15-26)31-20-30-4-1-2-7-33(30)35-22-31/h1-22H
InChIKeyYAXIEQDPXCROAA-UHFFFAOYSA-N
MW451.54 g/mol
LogP9.04
Rot. Bonds4

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

3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline (PubChem CID 171056620) has the molecular formula C33H22FN and a molecular weight of 451.54 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
PubChem CID171056620
Molecular FormulaC33H22FN
Molecular Weight451.54 g/mol
Exact Mass451.17
IUPAC Name3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
SMILESFc1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6ccccc6c5)cc4)cc3)cc2)c1
InChIInChI=1S/C33H22FN/c34-32-6-3-5-29(21-32)27-16-12-25(13-17-27)23-8-10-24(11-9-23)26-14-18-28(19-15-26)31-20-30-4-1-2-7-33(30)35-22-31/h1-22H
InChIKeyYAXIEQDPXCROAA-UHFFFAOYSA-N
XLogP9.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.54
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 169293981
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
CID 171056204
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-(3-fluorophenyl)-6-thiophen-3-ylquinoline
CID 18788569
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461
3-pyridin-4-ylquinoline
CID 10081720
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline?
The IUPAC name of 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline (CID 171056620) is 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline?
The canonical SMILES for 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline is Fc1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6ccccc6c5)cc4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline?
The InChIKey is YAXIEQDPXCROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22FN/c34-32-6-3-5-29(21-32)27-16-12-25(13-17-27)23-8-10-24(11-9-23)26-14-18-28(19-15-26)31-20-30-4-1-2-7-33(30)35-22-31/h1-22H.
What are the key properties of 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline?
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline has a molecular weight of 451.54 g/mol, XLogP of 9.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline is sourced from PubChem (CID 171056620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).