2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole

C54H32N2OS — CID 126579968

IUPAC2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-12-35(13-3-1)55-48-29-26-34(37-17-10-19-42-40-15-5-8-22-51(40)57-53(37)42)30-44(48)46-31-45-39-14-4-7-21-47(39)56(49(45)32-50(46)55)36-27-24-33(25-28-36)38-18-11-20-43-41-16-6-9-23-52(41)58-54(38)43/h1-32H
InChIKeyPUZGQMBPHVBWSQ-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole

2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole (PubChem CID 126579968) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
PubChem CID126579968
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-12-35(13-3-1)55-48-29-26-34(37-17-10-19-42-40-15-5-8-22-51(40)57-53(37)42)30-44(48)46-31-45-39-14-4-7-21-47(39)56(49(45)32-50(46)55)36-27-24-33(25-28-36)38-18-11-20-43-41-16-6-9-23-52(41)58-54(38)43/h1-32H
InChIKeyPUZGQMBPHVBWSQ-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-4-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
CID 160649083
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 161381988
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 162161949

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole?
The IUPAC name of 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole (CID 126579968) is 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole?
The InChIKey is PUZGQMBPHVBWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-12-35(13-3-1)55-48-29-26-34(37-17-10-19-42-40-15-5-8-22-51(40)57-53(37)42)30-44(48)46-31-45-39-14-4-7-21-47(39)56(49(45)32-50(46)55)36-27-24-33(25-28-36)38-18-11-20-43-41-16-6-9-23-52(41)58-54(38)43/h1-32H.
What are the key properties of 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole?
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 126579968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).