4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene

C60H42S — CID 166663886

IUPAC4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(/C(=C\c3ccccc3-c3cccc4c3sc3ccccc34)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H42S/c1-59(2)53-29-14-11-24-45(53)47-34-32-41(38-56(47)59)51(36-39-18-9-10-23-44(39)49-27-17-28-50-48-26-13-16-31-57(48)61-58(49)50)40-33-35-55-52(37-40)46-25-12-15-30-54(46)60(55,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-38H,1-2H3/b51-36-
InChIKeyTWOWFUAAVJNJCE-DLCXJUDRSA-N
MW795.06 g/mol
LogP15.98
Rot. Bonds6

About 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene

4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene (PubChem CID 166663886) has the molecular formula C60H42S and a molecular weight of 795.06 g/mol. Its IUPAC name is 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene
PubChem CID166663886
Molecular FormulaC60H42S
Molecular Weight795.06 g/mol
Exact Mass794.30
IUPAC Name4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(/C(=C\c3ccccc3-c3cccc4c3sc3ccccc34)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H42S/c1-59(2)53-29-14-11-24-45(53)47-34-32-41(38-56(47)59)51(36-39-18-9-10-23-44(39)49-27-17-28-50-48-26-13-16-31-57(48)61-58(49)50)40-33-35-55-52(37-40)46-25-12-15-30-54(46)60(55,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-38H,1-2H3/b51-36-
InChIKeyTWOWFUAAVJNJCE-DLCXJUDRSA-N
XLogP15.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.06
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 137413842
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157435553
9-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-2,7-dimethyl-9-phenylfluoren-4-amine
CID 164769136
2,4-di(dibenzothiophen-4-yl)-6-(9,9-diphenylfluoren-4-yl)pyrimidine
CID 167349336
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene (CID 166663886) is 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene is CC1(C)c2ccccc2-c2ccc(/C(=C\c3ccccc3-c3cccc4c3sc3ccccc34)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene?
The InChIKey is TWOWFUAAVJNJCE-DLCXJUDRSA-N. The full InChI is InChI=1S/C60H42S/c1-59(2)53-29-14-11-24-45(53)47-34-32-41(38-56(47)59)51(36-39-18-9-10-23-44(39)49-27-17-28-50-48-26-13-16-31-57(48)61-58(49)50)40-33-35-55-52(37-40)46-25-12-15-30-54(46)60(55,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-38H,1-2H3/b51-36-.
What are the key properties of 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene?
4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene has a molecular weight of 795.06 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-(9,9-dimethylfluoren-2-yl)-2-(9,9-diphenylfluoren-3-yl)ethenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 166663886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).