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

C67H44S — CID 177115866

IUPAC4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)c7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C67H44S/c1-3-27-56(28-4-1)67(57-29-5-2-6-30-57)63-35-9-7-31-59(63)60-38-37-54(44-64(60)67)52-24-14-22-50(42-52)48-20-12-18-46(40-48)45-17-11-19-47(39-45)49-21-13-23-51(41-49)53-25-15-26-55(43-53)58-33-16-34-62-61-32-8-10-36-65(61)68-66(58)62/h1-44H
InChIKeyYMUCXVJCOVUZBJ-UHFFFAOYSA-N
MW881.16 g/mol
LogP18.42
Rot. Bonds8

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

4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene (PubChem CID 177115866) has the molecular formula C67H44S and a molecular weight of 881.16 g/mol. Its IUPAC name is 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
PubChem CID177115866
Molecular FormulaC67H44S
Molecular Weight881.16 g/mol
Exact Mass880.32
IUPAC Name4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)c7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C67H44S/c1-3-27-56(28-4-1)67(57-29-5-2-6-30-57)63-35-9-7-31-59(63)60-38-37-54(44-64(60)67)52-24-14-22-50(42-52)48-20-12-18-46(40-48)45-17-11-19-47(39-45)49-21-13-23-51(41-49)53-25-15-26-55(43-53)58-33-16-34-62-61-32-8-10-36-65(61)68-66(58)62/h1-44H
InChIKeyYMUCXVJCOVUZBJ-UHFFFAOYSA-N
XLogP18.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.16
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603171
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-dibenzothiophen-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167348948
2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
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-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)dibenzothiophene
CID 122413304
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene (CID 177115866) is 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9sc9ccccc9%10)c8)c7)c6)c5)c4)cc32)cc1.
What is the InChIKey of 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
The InChIKey is YMUCXVJCOVUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44S/c1-3-27-56(28-4-1)67(57-29-5-2-6-30-57)63-35-9-7-31-59(63)60-38-37-54(44-64(60)67)52-24-14-22-50(42-52)48-20-12-18-46(40-48)45-17-11-19-47(39-45)49-21-13-23-51(41-49)53-25-15-26-55(43-53)58-33-16-34-62-61-32-8-10-36-65(61)68-66(58)62/h1-44H.
What are the key properties of 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene?
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene has a molecular weight of 881.16 g/mol, XLogP of 18.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 177115866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).