4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene

C55H36S — CID 118346451

IUPAC4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4Cc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)c6)cccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36S/c1-2-12-36(13-3-1)37-28-30-38(31-29-37)39-14-6-17-42(32-39)45-21-9-24-48-49-25-10-22-46(53(49)35-52(45)48)43-18-7-15-40(33-43)41-16-8-19-44(34-41)47-23-11-26-51-50-20-4-5-27-54(50)56-55(47)51/h1-34H,35H2
InChIKeyPEVOVLLQOXXGOB-UHFFFAOYSA-N
MW728.96 g/mol
LogP15.63
Rot. Bonds6

About 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene

4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene (PubChem CID 118346451) has the molecular formula C55H36S and a molecular weight of 728.96 g/mol. Its IUPAC name is 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
PubChem CID118346451
Molecular FormulaC55H36S
Molecular Weight728.96 g/mol
Exact Mass728.25
IUPAC Name4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5c4Cc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)c6)cccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36S/c1-2-12-36(13-3-1)37-28-30-38(31-29-37)39-14-6-17-42(32-39)45-21-9-24-48-49-25-10-22-46(53(49)35-52(45)48)43-18-7-15-40(33-43)41-16-8-19-44(34-41)47-23-11-26-51-50-20-4-5-27-54(50)56-55(47)51/h1-34H,35H2
InChIKeyPEVOVLLQOXXGOB-UHFFFAOYSA-N
XLogP15.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.96
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]dibenzofuran;4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]dibenzothiophene;4-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene
CID 162196932
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene (CID 118346451) is 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene is c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Cc4c(-c6cccc(-c7cccc(-c8cccc9c8sc8ccccc89)c7)c6)cccc4-5)c3)cc2)cc1.
What is the InChIKey of 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene?
The InChIKey is PEVOVLLQOXXGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36S/c1-2-12-36(13-3-1)37-28-30-38(31-29-37)39-14-6-17-42(32-39)45-21-9-24-48-49-25-10-22-46(53(49)35-52(45)48)43-18-7-15-40(33-43)41-16-8-19-44(34-41)47-23-11-26-51-50-20-4-5-27-54(50)56-55(47)51/h1-34H,35H2.
What are the key properties of 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene?
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene has a molecular weight of 728.96 g/mol, XLogP of 15.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 118346451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).