9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole

C51H33NOS — CID 163897494

IUPAC9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C51H33NOS/c1-51(2)41-17-7-3-12-33(41)38-26-30(22-24-42(38)51)31-23-25-44-39(27-31)34-13-4-8-18-43(34)52(44)32-28-40(49-36-14-5-9-19-45(36)53-46(49)29-32)35-16-11-21-48-50(35)37-15-6-10-20-47(37)54-48/h3-29H,1-2H3
InChIKeyQGXSEJSYICATBQ-UHFFFAOYSA-N
MW707.90 g/mol
LogP14.69
Rot. Bonds3

About 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole

9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole (PubChem CID 163897494) has the molecular formula C51H33NOS and a molecular weight of 707.90 g/mol. Its IUPAC name is 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
PubChem CID163897494
Molecular FormulaC51H33NOS
Molecular Weight707.90 g/mol
Exact Mass707.23
IUPAC Name9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C51H33NOS/c1-51(2)41-17-7-3-12-33(41)38-26-30(22-24-42(38)51)31-23-25-44-39(27-31)34-13-4-8-18-43(34)52(44)32-28-40(49-36-14-5-9-19-45(36)53-46(49)29-32)35-16-11-21-48-50(35)37-15-6-10-20-47(37)54-48/h3-29H,1-2H3
InChIKeyQGXSEJSYICATBQ-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

9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163914727
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 157256089
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159392904
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161290833
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159748904
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475

Frequently Asked Questions

What is the IUPAC name of 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The IUPAC name of 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole (CID 163897494) is 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole.
What is the SMILES notation for 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The canonical SMILES for 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
The InChIKey is QGXSEJSYICATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NOS/c1-51(2)41-17-7-3-12-33(41)38-26-30(22-24-42(38)51)31-23-25-44-39(27-31)34-13-4-8-18-43(34)52(44)32-28-40(49-36-14-5-9-19-45(36)53-46(49)29-32)35-16-11-21-48-50(35)37-15-6-10-20-47(37)54-48/h3-29H,1-2H3.
What are the key properties of 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole?
9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)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 9-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole is sourced from PubChem (CID 163897494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).