3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole

C54H31NO2S — CID 137474285

IUPAC3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H31NO2S/c1-5-20-50-39(12-1)42-17-8-15-37(53(42)57-50)35-23-26-48-45(31-35)44-29-32(33-24-27-51-46(30-33)40-13-2-4-19-49(40)56-51)22-25-47(44)55(48)36-11-7-10-34(28-36)38-16-9-18-43-41-14-3-6-21-52(41)58-54(38)43/h1-31H
InChIKeyMJLJOXKOODKKJE-UHFFFAOYSA-N
MW757.91 g/mol
LogP15.95
Rot. Bonds4

About 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole

3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole (PubChem CID 137474285) has the molecular formula C54H31NO2S and a molecular weight of 757.91 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
PubChem CID137474285
Molecular FormulaC54H31NO2S
Molecular Weight757.91 g/mol
Exact Mass757.21
IUPAC Name3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H31NO2S/c1-5-20-50-39(12-1)42-17-8-15-37(53(42)57-50)35-23-26-48-45(31-35)44-29-32(33-24-27-51-46(30-33)40-13-2-4-19-49(40)56-51)22-25-47(44)55(48)36-11-7-10-34(28-36)38-16-9-18-43-41-14-3-6-21-52(41)58-54(38)43/h1-31H
InChIKeyMJLJOXKOODKKJE-UHFFFAOYSA-N
XLogP15.95
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.91
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
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
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
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-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
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;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
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzofuran-4-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 161391565

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole (CID 137474285) is 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole is c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole?
The InChIKey is MJLJOXKOODKKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NO2S/c1-5-20-50-39(12-1)42-17-8-15-37(53(42)57-50)35-23-26-48-45(31-35)44-29-32(33-24-27-51-46(30-33)40-13-2-4-19-49(40)56-51)22-25-47(44)55(48)36-11-7-10-34(28-36)38-16-9-18-43-41-14-3-6-21-52(41)58-54(38)43/h1-31H.
What are the key properties of 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole?
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole has a molecular weight of 757.91 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole is sourced from PubChem (CID 137474285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).