3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline

C38H24F3N — CID 169293894

IUPAC3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C38H24F3N/c39-38(40,41)34-20-18-26(19-21-34)25-8-10-27(11-9-25)31-16-17-32-22-33(24-42-37(32)23-31)28-12-14-30(15-13-28)36-7-3-5-29-4-1-2-6-35(29)36/h1-24H
InChIKeyXFCMUGJBFABJAR-UHFFFAOYSA-N
MW551.61 g/mol
LogP11.07
Rot. Bonds4

About 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline

3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline (PubChem CID 169293894) has the molecular formula C38H24F3N and a molecular weight of 551.61 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
PubChem CID169293894
Molecular FormulaC38H24F3N
Molecular Weight551.61 g/mol
Exact Mass551.19
IUPAC Name3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)cnc4c3)cc2)cc1
InChIInChI=1S/C38H24F3N/c39-38(40,41)34-20-18-26(19-21-34)25-8-10-27(11-9-25)31-16-17-32-22-33(24-42-37(32)23-31)28-12-14-30(15-13-28)36-7-3-5-29-4-1-2-6-35(29)36/h1-24H
InChIKeyXFCMUGJBFABJAR-UHFFFAOYSA-N
XLogP11.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293563
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
3-(6-quinolin-8-yl-3-pyridinyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293945
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The IUPAC name of 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline (CID 169293894) is 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The canonical SMILES for 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline is FC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)cnc4c3)cc2)cc1.
What is the InChIKey of 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The InChIKey is XFCMUGJBFABJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F3N/c39-38(40,41)34-20-18-26(19-21-34)25-8-10-27(11-9-25)31-16-17-32-22-33(24-42-37(32)23-31)28-12-14-30(15-13-28)36-7-3-5-29-4-1-2-6-35(29)36/h1-24H.
What are the key properties of 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline has a molecular weight of 551.61 g/mol, XLogP of 11.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 169293894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).