7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene

C56H38S — CID 163455091

IUPAC7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3cccc(-c4ccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C56H38S/c1-4-15-38(16-5-1)39-27-29-41(30-28-39)55(40-17-6-2-7-18-40)44-20-14-19-42(35-44)43-31-34-53-50(36-43)49-33-32-46(37-54(49)57-53)56(45-21-8-3-9-22-45)51-25-12-10-23-47(51)48-24-11-13-26-52(48)56/h1-37,55H
InChIKeyFZIHNJFXDKHBIG-UHFFFAOYSA-N
MW742.99 g/mol
LogP14.93
Rot. Bonds7

About 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene

7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene (PubChem CID 163455091) has the molecular formula C56H38S and a molecular weight of 742.99 g/mol. Its IUPAC name is 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene
PubChem CID163455091
Molecular FormulaC56H38S
Molecular Weight742.99 g/mol
Exact Mass742.27
IUPAC Name7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3cccc(-c4ccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C56H38S/c1-4-15-38(16-5-1)39-27-29-41(30-28-39)55(40-17-6-2-7-18-40)44-20-14-19-42(35-44)43-31-34-53-50(36-43)49-33-32-46(37-54(49)57-53)56(45-21-8-3-9-22-45)51-25-12-10-23-47(51)48-24-11-13-26-52(48)56/h1-37,55H
InChIKeyFZIHNJFXDKHBIG-UHFFFAOYSA-N
XLogP14.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.99
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139353933
2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163509066
4-dibenzothiophen-2-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603110
2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The IUPAC name of 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene (CID 163455091) is 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene.
What is the SMILES notation for 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The canonical SMILES for 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene is c1ccc(-c2ccc(C(c3ccccc3)c3cccc(-c4ccc5sc6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
The InChIKey is FZIHNJFXDKHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38S/c1-4-15-38(16-5-1)39-27-29-41(30-28-39)55(40-17-6-2-7-18-40)44-20-14-19-42(35-44)43-31-34-53-50(36-43)49-33-32-46(37-54(49)57-53)56(45-21-8-3-9-22-45)51-25-12-10-23-47(51)48-24-11-13-26-52(48)56/h1-37,55H.
What are the key properties of 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene?
7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene has a molecular weight of 742.99 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene is sourced from PubChem (CID 163455091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).