2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene

C39H25F3 — CID 169293477

IUPAC2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H25F3/c40-39(41,42)36-22-20-27(21-23-36)26-8-10-28(11-9-26)32-16-18-35-25-33(17-19-34(35)24-32)29-12-14-31(15-13-29)38-7-3-5-30-4-1-2-6-37(30)38/h1-25H
InChIKeyAHLSDCCDNXQSSQ-UHFFFAOYSA-N
MW550.62 g/mol
LogP11.68
Rot. Bonds4

About 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene

2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene (PubChem CID 169293477) has the molecular formula C39H25F3 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
PubChem CID169293477
Molecular FormulaC39H25F3
Molecular Weight550.62 g/mol
Exact Mass550.19
IUPAC Name2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C39H25F3/c40-39(41,42)36-22-20-27(21-23-36)26-8-10-28(11-9-26)32-16-18-35-25-33(17-19-34(35)24-32)29-12-14-31(15-13-29)38-7-3-5-30-4-1-2-6-37(30)38/h1-25H
InChIKeyAHLSDCCDNXQSSQ-UHFFFAOYSA-N
XLogP11.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene (CID 169293477) is 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene is FC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
The InChIKey is AHLSDCCDNXQSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25F3/c40-39(41,42)36-22-20-27(21-23-36)26-8-10-28(11-9-26)32-16-18-35-25-33(17-19-34(35)24-32)29-12-14-31(15-13-29)38-7-3-5-30-4-1-2-6-37(30)38/h1-25H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene?
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene has a molecular weight of 550.62 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 169293477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).