4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene

C37H24S — CID 157122578

IUPAC4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5ccc6c(c5)-c5ccccc5C6)cccc34)c2)cc1
InChIInChI=1S/C37H24S/c1-2-9-24(10-3-1)25-12-6-13-27(21-25)31-15-7-17-33-34-18-8-16-32(37(34)38-36(31)33)29-20-19-28-22-26-11-4-5-14-30(26)35(28)23-29/h1-21,23H,22H2
InChIKeyLUBUYILSIDYXEM-UHFFFAOYSA-N
MW500.67 g/mol
LogP10.63
Rot. Bonds3

About 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene

4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene (PubChem CID 157122578) has the molecular formula C37H24S and a molecular weight of 500.67 g/mol. Its IUPAC name is 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
PubChem CID157122578
Molecular FormulaC37H24S
Molecular Weight500.67 g/mol
Exact Mass500.16
IUPAC Name4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5ccc6c(c5)-c5ccccc5C6)cccc34)c2)cc1
InChIInChI=1S/C37H24S/c1-2-9-24(10-3-1)25-12-6-13-27(21-25)31-15-7-17-33-34-18-8-16-32(37(34)38-36(31)33)29-20-19-28-22-26-11-4-5-14-30(26)35(28)23-29/h1-21,23H,22H2
InChIKeyLUBUYILSIDYXEM-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
CID 159708526
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2,7-di(dibenzothiophen-4-yl)-10H-anthracen-9-one
CID 164765338
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 118346451
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-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene (CID 157122578) is 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene is c1ccc(-c2cccc(-c3cccc4c3sc3c(-c5ccc6c(c5)-c5ccccc5C6)cccc34)c2)cc1.
What is the InChIKey of 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene?
The InChIKey is LUBUYILSIDYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S/c1-2-9-24(10-3-1)25-12-6-13-27(21-25)31-15-7-17-33-34-18-8-16-32(37(34)38-36(31)33)29-20-19-28-22-26-11-4-5-14-30(26)35(28)23-29/h1-21,23H,22H2.
What are the key properties of 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene?
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene has a molecular weight of 500.67 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 157122578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).