4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene

C35H21F3S — CID 169294074

IUPAC4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3c2)cc1
InChIInChI=1S/C35H21F3S/c36-35(37,38)29-18-16-23(17-19-29)27-15-11-24-10-14-26(20-28(24)21-27)22-8-12-25(13-9-22)30-5-3-6-32-31-4-1-2-7-33(31)39-34(30)32/h1-21H
InChIKeyTXZVKVWXBREIBX-UHFFFAOYSA-N
MW530.61 g/mol
LogP11.23
Rot. Bonds3

About 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene

4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (PubChem CID 169294074) has the molecular formula C35H21F3S and a molecular weight of 530.61 g/mol. Its IUPAC name is 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
PubChem CID169294074
Molecular FormulaC35H21F3S
Molecular Weight530.61 g/mol
Exact Mass530.13
IUPAC Name4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3c2)cc1
InChIInChI=1S/C35H21F3S/c36-35(37,38)29-18-16-23(17-19-29)27-15-11-24-10-14-26(20-28(24)21-27)22-8-12-25(13-9-22)30-5-3-6-32-31-4-1-2-7-33(31)39-34(30)32/h1-21H
InChIKeyTXZVKVWXBREIBX-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
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-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
4-[3-phenyl-5-(7-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 170411136
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (CID 169294074) is 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is FC(F)(F)c1ccc(-c2ccc3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3c2)cc1.
What is the InChIKey of 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The InChIKey is TXZVKVWXBREIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3S/c36-35(37,38)29-18-16-23(17-19-29)27-15-11-24-10-14-26(20-28(24)21-27)22-8-12-25(13-9-22)30-5-3-6-32-31-4-1-2-7-33(31)39-34(30)32/h1-21H.
What are the key properties of 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene has a molecular weight of 530.61 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 169294074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).