4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene

C55H34S2 — CID 66686478

IUPAC4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H34S2/c1-5-19-49-43(11-1)44-12-2-6-20-50(44)55(49,40-33-29-38(30-34-40)42-16-10-18-48-46-14-4-8-22-52(46)57-54(42)48)39-31-27-36(28-32-39)35-23-25-37(26-24-35)41-15-9-17-47-45-13-3-7-21-51(45)56-53(41)47/h1-34H
InChIKeyJDNLDABPYANMCJ-UHFFFAOYSA-N
MW759.01 g/mol
LogP15.79
Rot. Bonds5

About 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene

4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene (PubChem CID 66686478) has the molecular formula C55H34S2 and a molecular weight of 759.01 g/mol. Its IUPAC name is 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
PubChem CID66686478
Molecular FormulaC55H34S2
Molecular Weight759.01 g/mol
Exact Mass758.21
IUPAC Name4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H34S2/c1-5-19-49-43(11-1)44-12-2-6-20-50(44)55(49,40-33-29-38(30-34-40)42-16-10-18-48-46-14-4-8-22-52(46)57-54(42)48)39-31-27-36(28-32-39)35-23-25-37(26-24-35)41-15-9-17-47-45-13-3-7-21-51(45)56-53(41)47/h1-34H
InChIKeyJDNLDABPYANMCJ-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.01
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
4-[4-[4-bromo-9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]dibenzothiophene
CID 154955071
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene (CID 66686478) is 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)c1ccc(-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene?
The InChIKey is JDNLDABPYANMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34S2/c1-5-19-49-43(11-1)44-12-2-6-20-50(44)55(49,40-33-29-38(30-34-40)42-16-10-18-48-46-14-4-8-22-52(46)57-54(42)48)39-31-27-36(28-32-39)35-23-25-37(26-24-35)41-15-9-17-47-45-13-3-7-21-51(45)56-53(41)47/h1-34H.
What are the key properties of 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene?
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene has a molecular weight of 759.01 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 66686478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).