[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane

C34H22F5NO2S — CID 145179086

IUPAC[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane
SMILESCc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(S(F)(F)(F)(F)F)ccc43)cc2c1C
InChIInChI=1S/C34H22F5NO2S/c1-19-20(2)41-33-14-9-23(17-26(19)33)40-30-11-7-21(22-8-13-34-29(16-22)25-5-3-4-6-32(25)42-34)15-27(30)28-18-24(10-12-31(28)40)43(35,36,37,38)39/h3-18H,1-2H3
InChIKeyQIRBAKKVFGYDOI-UHFFFAOYSA-N
MW603.61 g/mol
LogP12.37
Rot. Bonds3

About [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane

[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane (PubChem CID 145179086) has the molecular formula C34H22F5NO2S and a molecular weight of 603.61 g/mol. Its IUPAC name is [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane
PubChem CID145179086
Molecular FormulaC34H22F5NO2S
Molecular Weight603.61 g/mol
Exact Mass603.13
IUPAC Name[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane
SMILESCc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(S(F)(F)(F)(F)F)ccc43)cc2c1C
InChIInChI=1S/C34H22F5NO2S/c1-19-20(2)41-33-14-9-23(17-26(19)33)40-30-11-7-21(22-8-13-34-29(16-22)25-5-3-4-6-32(25)42-34)15-27(30)28-18-24(10-12-31(28)40)43(35,36,37,38)39/h3-18H,1-2H3
InChIKeyQIRBAKKVFGYDOI-UHFFFAOYSA-N
XLogP12.37
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.61
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane 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 [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane?
The IUPAC name of [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane (CID 145179086) is [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane is Cc1oc2ccc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4cc(S(F)(F)(F)(F)F)ccc43)cc2c1C.
What is the InChIKey of [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane?
The InChIKey is QIRBAKKVFGYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F5NO2S/c1-19-20(2)41-33-14-9-23(17-26(19)33)40-30-11-7-21(22-8-13-34-29(16-22)25-5-3-4-6-32(25)42-34)15-27(30)28-18-24(10-12-31(28)40)43(35,36,37,38)39/h3-18H,1-2H3.
What are the key properties of [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane?
[6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane has a molecular weight of 603.61 g/mol, XLogP of 12.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-dibenzofuran-2-yl-9-(2,3-dimethyl-1-benzofuran-5-yl)carbazol-3-yl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 145179086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).