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

C40H25FS — CID 169294012

IUPAC4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C40H25FS/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)32-18-14-30-15-19-33(25-34(30)24-32)29-12-16-31(17-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H
InChIKeyZMUPIUJFOTWLQL-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.01
Rot. Bonds4

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

4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (PubChem CID 169294012) has the molecular formula C40H25FS and a molecular weight of 556.71 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
PubChem CID169294012
Molecular FormulaC40H25FS
Molecular Weight556.71 g/mol
Exact Mass556.17
IUPAC Name4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
SMILESFc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C40H25FS/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)32-18-14-30-15-19-33(25-34(30)24-32)29-12-16-31(17-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H
InChIKeyZMUPIUJFOTWLQL-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074
3-(4-dibenzothiophen-4-ylphenyl)-7-[4-(4-fluorophenyl)phenyl]quinoline
CID 169293985
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
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
4-[3-phenyl-5-(7-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 170411136
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene (CID 169294012) is 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is Fc1ccc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4c3)cc2)cc1.
What is the InChIKey of 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
The InChIKey is ZMUPIUJFOTWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25FS/c41-35-22-20-27(21-23-35)26-8-10-28(11-9-26)32-18-14-30-15-19-33(25-34(30)24-32)29-12-16-31(17-13-29)36-5-3-6-38-37-4-1-2-7-39(37)42-40(36)38/h1-25H.
What are the key properties of 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene?
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene has a molecular weight of 556.71 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 169294012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).