1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene

C56H36S — CID 170073483

IUPAC1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6sc7ccccc7c56)cc4-c4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C56H36S/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)53-45-32-30-40(34-50(45)54-41(20-11-21-47(53)54)37-15-5-2-6-16-37)39-29-31-44-49(33-39)42-17-7-8-18-43(42)55(44)48-22-12-24-52-56(48)46-19-9-10-23-51(46)57-52/h1-34,53,55H
InChIKeyUGNIHTLFPIUZRB-UHFFFAOYSA-N
MW740.97 g/mol
LogP15.38
Rot. Bonds5

About 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene

1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene (PubChem CID 170073483) has the molecular formula C56H36S and a molecular weight of 740.97 g/mol. Its IUPAC name is 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene.

Molecular Properties

Compound Name1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
PubChem CID170073483
Molecular FormulaC56H36S
Molecular Weight740.97 g/mol
Exact Mass740.25
IUPAC Name1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6sc7ccccc7c56)cc4-c4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C56H36S/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)53-45-32-30-40(34-50(45)54-41(20-11-21-47(53)54)37-15-5-2-6-16-37)39-29-31-44-49(33-39)42-17-7-8-18-43(42)55(44)48-22-12-24-52-56(48)46-19-9-10-23-51(46)57-52/h1-34,53,55H
InChIKeyUGNIHTLFPIUZRB-UHFFFAOYSA-N
XLogP15.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.97
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[4-[4-[4-(12H-fluoreno[2,1-b][1]benzothiol-12-yl)phenyl]phenyl]phenyl]-12H-fluoreno[2,1-b][1]benzothiole
CID 139552921
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene
CID 118462628
1-phenyldibenzothiophene;hydrobromide
CID 174679709
9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159713563
4-(4-dibenzothiophen-1-ylphenyl)-2-[11-[4-(4-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151179
2-[11-[6-(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151275
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene?
The IUPAC name of 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene (CID 170073483) is 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene.
What is the SMILES notation for 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene?
The canonical SMILES for 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene is c1ccc(-c2ccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5cccc6sc7ccccc7c56)cc4-c4c(-c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene?
The InChIKey is UGNIHTLFPIUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36S/c1-3-13-35(14-4-1)36-25-27-38(28-26-36)53-45-32-30-40(34-50(45)54-41(20-11-21-47(53)54)37-15-5-2-6-16-37)39-29-31-44-49(33-39)42-17-7-8-18-43(42)55(44)48-22-12-24-52-56(48)46-19-9-10-23-51(46)57-52/h1-34,53,55H.
What are the key properties of 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene?
1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene has a molecular weight of 740.97 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene is sourced from PubChem (CID 170073483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).