4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene

C43H28S — CID 66656896

IUPAC4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C43H28S/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43/h1-28H
InChIKeyYADOUUQRJKDBAN-UHFFFAOYSA-N
MW576.76 g/mol
LogP11.75
Rot. Bonds4

About 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene

4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene (PubChem CID 66656896) has the molecular formula C43H28S and a molecular weight of 576.76 g/mol. Its IUPAC name is 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
PubChem CID66656896
Molecular FormulaC43H28S
Molecular Weight576.76 g/mol
Exact Mass576.19
IUPAC Name4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C43H28S/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43/h1-28H
InChIKeyYADOUUQRJKDBAN-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.76
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
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
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282
N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121667
2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 137413842
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The IUPAC name of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene (CID 66656896) is 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The canonical SMILES for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene is c1ccc(-c2cccc3c2sc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1.
What is the InChIKey of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
The InChIKey is YADOUUQRJKDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28S/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43/h1-28H.
What are the key properties of 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene?
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene has a molecular weight of 576.76 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 66656896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).