4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene

C41H25F3S — CID 169293546

IUPAC4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C41H25F3S/c42-41(43,44)35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)45-40(36)38/h1-25H
InChIKeyZILBQURROALYAW-UHFFFAOYSA-N
MW606.71 g/mol
LogP12.89
Rot. Bonds4

About 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene

4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (PubChem CID 169293546) has the molecular formula C41H25F3S and a molecular weight of 606.71 g/mol. Its IUPAC name is 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
PubChem CID169293546
Molecular FormulaC41H25F3S
Molecular Weight606.71 g/mol
Exact Mass606.16
IUPAC Name4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3)cc2)cc1
InChIInChI=1S/C41H25F3S/c42-41(43,44)35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)45-40(36)38/h1-25H
InChIKeyZILBQURROALYAW-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.71
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene with MolForge

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Related Compounds

4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
4-[4-[3-(4-tert-butylphenyl)phenanthren-9-yl]phenyl]dibenzothiophene
CID 87688457
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
CID 129063325

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (CID 169293546) is 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is FC(F)(F)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The InChIKey is ZILBQURROALYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3S/c42-41(43,44)35-22-20-27(21-23-35)26-8-10-28(11-9-26)31-16-18-34-25-32(17-19-33(34)24-31)29-12-14-30(15-13-29)36-5-3-6-38-37-4-1-2-7-39(37)45-40(36)38/h1-25H.
What are the key properties of 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene has a molecular weight of 606.71 g/mol, XLogP of 12.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 169293546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).