2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide

C52H32N4OS — CID 140758977

IUPAC2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide
SMILESO=S1c2ccc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)cc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21
InChIInChI=1S/C52H32N4OS/c57-58-47-29-27-35(55-45-25-13-9-21-39(45)49-37-19-7-11-23-43(37)53(51(49)55)33-15-3-1-4-16-33)31-41(47)42-32-36(28-30-48(42)58)56-46-26-14-10-22-40(46)50-38-20-8-12-24-44(38)54(52(50)56)34-17-5-2-6-18-34/h1-32H
InChIKeyGKSXFCCKXOHUJB-UHFFFAOYSA-N
MW760.92 g/mol
LogP12.92
Rot. Bonds4

About 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide

2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide (PubChem CID 140758977) has the molecular formula C52H32N4OS and a molecular weight of 760.92 g/mol. Its IUPAC name is 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide.

Molecular Properties

Compound Name2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide
PubChem CID140758977
Molecular FormulaC52H32N4OS
Molecular Weight760.92 g/mol
Exact Mass760.23
IUPAC Name2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide
SMILESO=S1c2ccc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)cc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21
InChIInChI=1S/C52H32N4OS/c57-58-47-29-27-35(55-45-25-13-9-21-39(45)49-37-19-7-11-23-43(37)53(51(49)55)33-15-3-1-4-16-33)31-41(47)42-32-36(28-30-48(42)58)56-46-26-14-10-22-40(46)50-38-20-8-12-24-44(38)54(52(50)56)34-17-5-2-6-18-34/h1-32H
InChIKeyGKSXFCCKXOHUJB-UHFFFAOYSA-N
XLogP12.92
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.92
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
CID 121289685
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
CID 155152472
4-methyl-N-(4-methylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]aniline
CID 70938011
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
CID 146631472
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2,6-di(carbazol-9-yl)anthracene-9,10-dione
CID 23584855
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide?
The IUPAC name of 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide (CID 140758977) is 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide.
What is the SMILES notation for 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide?
The canonical SMILES for 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide is O=S1c2ccc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)cc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21.
What is the InChIKey of 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide?
The InChIKey is GKSXFCCKXOHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4OS/c57-58-47-29-27-35(55-45-25-13-9-21-39(45)49-37-19-7-11-23-43(37)53(51(49)55)33-15-3-1-4-16-33)31-41(47)42-32-36(28-30-48(42)58)56-46-26-14-10-22-40(46)50-38-20-8-12-24-44(38)54(52(50)56)34-17-5-2-6-18-34/h1-32H.
What are the key properties of 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide?
2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide has a molecular weight of 760.92 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(6-phenylindolo[2,3-b]indol-5-yl)dibenzothiophene 5-oxide is sourced from PubChem (CID 140758977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).