3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole

C37H22F3NO — CID 135136144

IUPAC3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole
SMILESFC(F)(F)c1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C37H22F3NO/c38-37(39,40)27-14-18-36-32(22-27)31-21-26(13-17-35(31)42-36)25-12-16-34-30(20-25)29-19-24(23-7-3-1-4-8-23)11-15-33(29)41(34)28-9-5-2-6-10-28/h1-22H
InChIKeyXLDVZABZDJYOEP-UHFFFAOYSA-N
MW553.58 g/mol
LogP11.04
Rot. Bonds3

About 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole

3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole (PubChem CID 135136144) has the molecular formula C37H22F3NO and a molecular weight of 553.58 g/mol. Its IUPAC name is 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole
PubChem CID135136144
Molecular FormulaC37H22F3NO
Molecular Weight553.58 g/mol
Exact Mass553.17
IUPAC Name3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole
SMILESFC(F)(F)c1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1
InChIInChI=1S/C37H22F3NO/c38-37(39,40)27-14-18-36-32(22-27)31-21-26(13-17-35(31)42-36)25-12-16-34-30(20-25)29-19-24(23-7-3-1-4-8-23)11-15-33(29)41(34)28-9-5-2-6-10-28/h1-22H
InChIKeyXLDVZABZDJYOEP-UHFFFAOYSA-N
XLogP11.04
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.58
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole (CID 135136144) is 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole is FC(F)(F)c1ccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3c2c1.
What is the InChIKey of 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole?
The InChIKey is XLDVZABZDJYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F3NO/c38-37(39,40)27-14-18-36-32(22-27)31-21-26(13-17-35(31)42-36)25-12-16-34-30(20-25)29-19-24(23-7-3-1-4-8-23)11-15-33(29)41(34)28-9-5-2-6-10-28/h1-22H.
What are the key properties of 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole?
3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole has a molecular weight of 553.58 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 135136144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).