3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole

C54H33NOS2 — CID 145108674

IUPAC3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole
SMILESC1=Cc2c(sc3ccccc23)C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc(-c3cccc4c3sc3ccccc34)c2)C1
InChIInChI=1S/C54H33NOS2/c1-4-19-49-39(12-1)40-25-22-33(31-50(40)56-49)32-23-26-47-45(29-32)46-30-35(38-16-9-18-44-42-14-3-6-21-52(42)58-54(38)44)24-27-48(46)55(47)36-11-7-10-34(28-36)37-15-8-17-43-41-13-2-5-20-51(41)57-53(37)43/h1-15,17-31,38H,16H2
InChIKeyLFWOCOJYUIXQSH-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.15
Rot. Bonds4

About 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole

3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole (PubChem CID 145108674) has the molecular formula C54H33NOS2 and a molecular weight of 776.00 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole
PubChem CID145108674
Molecular FormulaC54H33NOS2
Molecular Weight776.00 g/mol
Exact Mass775.20
IUPAC Name3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole
SMILESC1=Cc2c(sc3ccccc23)C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc(-c3cccc4c3sc3ccccc34)c2)C1
InChIInChI=1S/C54H33NOS2/c1-4-19-49-39(12-1)40-25-22-33(31-50(40)56-49)32-23-26-47-45(29-32)46-30-35(38-16-9-18-44-42-14-3-6-21-52(42)58-54(38)44)24-27-48(46)55(47)36-11-7-10-34(28-36)37-15-8-17-43-41-13-2-5-20-51(41)57-53(37)43/h1-15,17-31,38H,16H2
InChIKeyLFWOCOJYUIXQSH-UHFFFAOYSA-N
XLogP16.15
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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
6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole
CID 168768268
2-[6-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6,7-dihydrodibenzothiophen-2-yl]-1-phenylbenzimidazole
CID 155356873
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
CID 142568485
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
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

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole?
The IUPAC name of 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole (CID 145108674) is 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole is C1=Cc2c(sc3ccccc23)C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc(-c3cccc4c3sc3ccccc34)c2)C1.
What is the InChIKey of 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole?
The InChIKey is LFWOCOJYUIXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS2/c1-4-19-49-39(12-1)40-25-22-33(31-50(40)56-49)32-23-26-47-45(29-32)46-30-35(38-16-9-18-44-42-14-3-6-21-52(42)58-54(38)44)24-27-48(46)55(47)36-11-7-10-34(28-36)37-15-8-17-43-41-13-2-5-20-51(41)57-53(37)43/h1-15,17-31,38H,16H2.
What are the key properties of 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole?
3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole has a molecular weight of 776.00 g/mol, XLogP of 16.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-9-(3-dibenzothiophen-4-ylphenyl)-6-(3,4-dihydrodibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 145108674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).