3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole

C51H33NOS — CID 118099247

IUPAC3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc21
InChIInChI=1S/C51H33NOS/c1-51(2)42-15-6-3-12-39(42)48-43(51)25-24-38-37-14-9-13-34(49(37)53-50(38)48)30-18-22-33(23-19-30)52-44-16-7-4-10-35(44)40-28-31(20-26-45(40)52)32-21-27-47-41(29-32)36-11-5-8-17-46(36)54-47/h3-29H,1-2H3
InChIKeyKLNAGAJSYAVITQ-UHFFFAOYSA-N
MW707.90 g/mol
LogP14.69
Rot. Bonds3

About 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole

3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole (PubChem CID 118099247) has the molecular formula C51H33NOS and a molecular weight of 707.90 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
PubChem CID118099247
Molecular FormulaC51H33NOS
Molecular Weight707.90 g/mol
Exact Mass707.23
IUPAC Name3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc21
InChIInChI=1S/C51H33NOS/c1-51(2)42-15-6-3-12-39(42)48-43(51)25-24-38-37-14-9-13-34(49(37)53-50(38)48)30-18-22-33(23-19-30)52-44-16-7-4-10-35(44)40-28-31(20-26-45(40)52)32-21-27-47-41(29-32)36-11-5-8-17-46(36)54-47/h3-29H,1-2H3
InChIKeyKLNAGAJSYAVITQ-UHFFFAOYSA-N
XLogP14.69
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-2-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099245
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole
CID 158048985
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzothiol-1-amine
CID 158308488
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 158799146
3-dibenzofuran-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-triphenylen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-triphenylen-2-ylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 159085521
9-(3-dibenzofuran-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159453257
N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzothiol-1-amine
CID 161348312

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole (CID 118099247) is 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2oc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc21.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
The InChIKey is KLNAGAJSYAVITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NOS/c1-51(2)42-15-6-3-12-39(42)48-43(51)25-24-38-37-14-9-13-34(49(37)53-50(38)48)30-18-22-33(23-19-30)52-44-16-7-4-10-35(44)40-28-31(20-26-45(40)52)32-21-27-47-41(29-32)36-11-5-8-17-46(36)54-47/h3-29H,1-2H3.
What are the key properties of 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole?
3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole has a molecular weight of 707.90 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole is sourced from PubChem (CID 118099247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).