3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole

C55H35FN2O — CID 118945770

IUPAC3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4ccccc4c3c2)c1F
InChIInChI=1S/C55H35FN2O/c1-34-15-5-6-18-39(34)47-33-38(58-49-23-11-7-19-40(49)41-20-8-12-24-50(41)58)32-44(54(47)56)36-30-45(55-48(31-36)43-22-10-14-26-53(43)59-55)35-27-28-52-46(29-35)42-21-9-13-25-51(42)57(52)37-16-3-2-4-17-37/h2-33H,1H3
InChIKeyRINHIGWYOKAAJS-UHFFFAOYSA-N
MW758.90 g/mol
LogP15.23
Rot. Bonds5

About 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole

3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 118945770) has the molecular formula C55H35FN2O and a molecular weight of 758.90 g/mol. Its IUPAC name is 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
PubChem CID118945770
Molecular FormulaC55H35FN2O
Molecular Weight758.90 g/mol
Exact Mass758.27
IUPAC Name3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4ccccc4c3c2)c1F
InChIInChI=1S/C55H35FN2O/c1-34-15-5-6-18-39(34)47-33-38(58-49-23-11-7-19-40(49)41-20-8-12-24-50(41)58)32-44(54(47)56)36-30-45(55-48(31-36)43-22-10-14-26-53(43)59-55)35-27-28-52-46(29-35)42-21-9-13-25-51(42)57(52)37-16-3-2-4-17-37/h2-33H,1H3
InChIKeyRINHIGWYOKAAJS-UHFFFAOYSA-N
XLogP15.23
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.90
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole (CID 118945770) is 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole is Cc1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3oc4ccccc4c3c2)c1F.
What is the InChIKey of 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole?
The InChIKey is RINHIGWYOKAAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35FN2O/c1-34-15-5-6-18-39(34)47-33-38(58-49-23-11-7-19-40(49)41-20-8-12-24-50(41)58)32-44(54(47)56)36-30-45(55-48(31-36)43-22-10-14-26-53(43)59-55)35-27-28-52-46(29-35)42-21-9-13-25-51(42)57(52)37-16-3-2-4-17-37/h2-33H,1H3.
What are the key properties of 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole?
3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 758.90 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 118945770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).