9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole

C49H27F3N2O2 — CID 134343512

IUPAC9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C49H27F3N2O2/c50-49(51,52)30-15-19-44-37(25-30)36-23-28(29-14-20-46-38(24-29)35-9-3-6-12-45(35)55-46)13-18-43(36)54(44)32-17-22-48-40(27-32)39-26-31(16-21-47(39)56-48)53-41-10-4-1-7-33(41)34-8-2-5-11-42(34)53/h1-27H
InChIKeyXZLBPQFWEDVCEL-UHFFFAOYSA-N
MW732.76 g/mol
LogP14.37
Rot. Bonds3

About 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole

9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole (PubChem CID 134343512) has the molecular formula C49H27F3N2O2 and a molecular weight of 732.76 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
PubChem CID134343512
Molecular FormulaC49H27F3N2O2
Molecular Weight732.76 g/mol
Exact Mass732.20
IUPAC Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C49H27F3N2O2/c50-49(51,52)30-15-19-44-37(25-30)36-23-28(29-14-20-46-38(24-29)35-9-3-6-12-45(35)55-46)13-18-43(36)54(44)32-17-22-48-40(27-32)39-26-31(16-21-47(39)56-48)53-41-10-4-1-7-33(41)34-8-2-5-11-42(34)53/h1-27H
InChIKeyXZLBPQFWEDVCEL-UHFFFAOYSA-N
XLogP14.37
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.76
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole 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 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole (CID 134343512) is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The InChIKey is XZLBPQFWEDVCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27F3N2O2/c50-49(51,52)30-15-19-44-37(25-30)36-23-28(29-14-20-46-38(24-29)35-9-3-6-12-45(35)55-46)13-18-43(36)54(44)32-17-22-48-40(27-32)39-26-31(16-21-47(39)56-48)53-41-10-4-1-7-33(41)34-8-2-5-11-42(34)53/h1-27H.
What are the key properties of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole has a molecular weight of 732.76 g/mol, XLogP of 14.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 134343512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).