3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole

C49H27F3N2O2 — CID 134343652

IUPAC3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C49H27F3N2O2/c50-49(51,52)29-17-21-44-38(25-29)37-24-28(16-20-43(37)54(44)30-18-22-46-39(26-30)35-10-3-6-15-45(35)55-46)32-11-7-12-36-40-27-31(19-23-47(40)56-48(32)36)53-41-13-4-1-8-33(41)34-9-2-5-14-42(34)53/h1-27H
InChIKeyGKBSMFGWIOYQLG-UHFFFAOYSA-N
MW732.76 g/mol
LogP14.37
Rot. Bonds3

About 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole

3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole (PubChem CID 134343652) has the molecular formula C49H27F3N2O2 and a molecular weight of 732.76 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
PubChem CID134343652
Molecular FormulaC49H27F3N2O2
Molecular Weight732.76 g/mol
Exact Mass732.20
IUPAC Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C49H27F3N2O2/c50-49(51,52)29-17-21-44-38(25-29)37-24-28(16-20-43(37)54(44)30-18-22-46-39(26-30)35-10-3-6-15-45(35)55-46)32-11-7-12-36-40-27-31(19-23-47(40)56-48(32)36)53-41-13-4-1-8-33(41)34-9-2-5-14-42(34)53/h1-27H
InChIKeyGKBSMFGWIOYQLG-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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole (CID 134343652) is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
The InChIKey is GKBSMFGWIOYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27F3N2O2/c50-49(51,52)29-17-21-44-38(25-29)37-24-28(16-20-43(37)54(44)30-18-22-46-39(26-30)35-10-3-6-15-45(35)55-46)32-11-7-12-36-40-27-31(19-23-47(40)56-48(32)36)53-41-13-4-1-8-33(41)34-9-2-5-14-42(34)53/h1-27H.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole?
3-(8-carbazol-9-yldibenzofuran-4-yl)-9-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 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 134343652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).