4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene

C37H23BrS — CID 118462628

IUPAC4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C37H23BrS/c38-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-31-34(22-26)28-9-1-2-11-30(28)36(31)33-13-6-12-32-29-10-3-4-14-35(29)39-37(32)33/h1-22,36H
InChIKeyHUZIOOGHNCTOSO-UHFFFAOYSA-N
MW579.56 g/mol
LogP11.31
Rot. Bonds3

About 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene

4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene (PubChem CID 118462628) has the molecular formula C37H23BrS and a molecular weight of 579.56 g/mol. Its IUPAC name is 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene
PubChem CID118462628
Molecular FormulaC37H23BrS
Molecular Weight579.56 g/mol
Exact Mass578.07
IUPAC Name4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene
SMILESBrc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C37H23BrS/c38-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-31-34(22-26)28-9-1-2-11-30(28)36(31)33-13-6-12-32-29-10-3-4-14-35(29)39-37(32)33/h1-22,36H
InChIKeyHUZIOOGHNCTOSO-UHFFFAOYSA-N
XLogP11.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.56
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158296108
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
2-dibenzothiophen-4-yl-4-[4-[11-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165151379
4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
CID 118685467
4-[3-phenyl-5-(7-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 170411136
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 126755928
1-[3-[5-phenyl-9-(4-phenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]dibenzothiophene
CID 170073483

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene?
The IUPAC name of 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene (CID 118462628) is 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene.
What is the SMILES notation for 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene?
The canonical SMILES for 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene is Brc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene?
The InChIKey is HUZIOOGHNCTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrS/c38-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-31-34(22-26)28-9-1-2-11-30(28)36(31)33-13-6-12-32-29-10-3-4-14-35(29)39-37(32)33/h1-22,36H.
What are the key properties of 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene?
4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene has a molecular weight of 579.56 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene is sourced from PubChem (CID 118462628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).