3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole

C56H38FNO — CID 118488388

IUPAC3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
SMILESCc1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(F)cc5)c4)c3)c2)cc(C)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C56H38FNO/c1-35-28-46(43-15-9-14-42(32-43)41-13-8-12-40(31-41)39-11-7-10-38(30-39)37-20-24-47(57)25-21-37)29-36(2)56(35)58-52-18-5-3-16-48(52)50-33-44(22-26-53(50)58)45-23-27-55-51(34-45)49-17-4-6-19-54(49)59-55/h3-34H,1-2H3
InChIKeyILVUIFAVOSFZGG-UHFFFAOYSA-N
MW759.92 g/mol
LogP15.77
Rot. Bonds6

About 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole

3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole (PubChem CID 118488388) has the molecular formula C56H38FNO and a molecular weight of 759.92 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
PubChem CID118488388
Molecular FormulaC56H38FNO
Molecular Weight759.92 g/mol
Exact Mass759.29
IUPAC Name3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
SMILESCc1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(F)cc5)c4)c3)c2)cc(C)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C56H38FNO/c1-35-28-46(43-15-9-14-42(32-43)41-13-8-12-40(31-41)39-11-7-10-38(30-39)37-20-24-47(57)25-21-37)29-36(2)56(35)58-52-18-5-3-16-48(52)50-33-44(22-26-53(50)58)45-23-27-55-51(34-45)49-17-4-6-19-54(49)59-55/h3-34H,1-2H3
InChIKeyILVUIFAVOSFZGG-UHFFFAOYSA-N
XLogP15.77
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.92
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole (CID 118488388) is 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole is Cc1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(F)cc5)c4)c3)c2)cc(C)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole?
The InChIKey is ILVUIFAVOSFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38FNO/c1-35-28-46(43-15-9-14-42(32-43)41-13-8-12-40(31-41)39-11-7-10-38(30-39)37-20-24-47(57)25-21-37)29-36(2)56(35)58-52-18-5-3-16-48(52)50-33-44(22-26-53(50)58)45-23-27-55-51(34-45)49-17-4-6-19-54(49)59-55/h3-34H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole?
3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole has a molecular weight of 759.92 g/mol, XLogP of 15.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole is sourced from PubChem (CID 118488388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).