3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole

C35H22F3NO2 — CID 134343629

IUPAC3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole
SMILESCc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(C(F)(F)F)ccc43)cc2c1C
InChIInChI=1S/C35H22F3NO2/c1-19-20(2)40-33-14-10-24(18-26(19)33)39-30-11-7-21(15-27(30)28-17-23(35(36,37)38)9-12-31(28)39)22-8-13-34-29(16-22)25-5-3-4-6-32(25)41-34/h3-18H,1-2H3
InChIKeyIEWSLPAZBANECN-UHFFFAOYSA-N
MW545.56 g/mol
LogP10.73
Rot. Bonds2

About 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole

3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole (PubChem CID 134343629) has the molecular formula C35H22F3NO2 and a molecular weight of 545.56 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole
PubChem CID134343629
Molecular FormulaC35H22F3NO2
Molecular Weight545.56 g/mol
Exact Mass545.16
IUPAC Name3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole
SMILESCc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(C(F)(F)F)ccc43)cc2c1C
InChIInChI=1S/C35H22F3NO2/c1-19-20(2)40-33-14-10-24(18-26(19)33)39-30-11-7-21(15-27(30)28-17-23(35(36,37)38)9-12-31(28)39)22-8-13-34-29(16-22)25-5-3-4-6-32(25)41-34/h3-18H,1-2H3
InChIKeyIEWSLPAZBANECN-UHFFFAOYSA-N
XLogP10.73
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.56
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-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 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole (CID 134343629) is 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole is Cc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(C(F)(F)F)ccc43)cc2c1C.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole?
The InChIKey is IEWSLPAZBANECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F3NO2/c1-19-20(2)40-33-14-10-24(18-26(19)33)39-30-11-7-21(15-27(30)28-17-23(35(36,37)38)9-12-31(28)39)22-8-13-34-29(16-22)25-5-3-4-6-32(25)41-34/h3-18H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole?
3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole has a molecular weight of 545.56 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 134343629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).