3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

C38H20F6N2O — CID 134343726

IUPAC3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C38H20F6N2O/c39-37(40,41)21-9-13-33-27(17-21)25-5-1-3-7-31(25)45(33)23-11-15-35-29(19-23)30-20-24(12-16-36(30)47-35)46-32-8-4-2-6-26(32)28-18-22(38(42,43)44)10-14-34(28)46/h1-20H
InChIKeyVUWTYKYEXSVECC-UHFFFAOYSA-N
MW634.58 g/mol
LogP11.82
Rot. Bonds2

About 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (PubChem CID 134343726) has the molecular formula C38H20F6N2O and a molecular weight of 634.58 g/mol. Its IUPAC name is 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
PubChem CID134343726
Molecular FormulaC38H20F6N2O
Molecular Weight634.58 g/mol
Exact Mass634.15
IUPAC Name3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C38H20F6N2O/c39-37(40,41)21-9-13-33-27(17-21)25-5-1-3-7-31(25)45(33)23-11-15-35-29(19-23)30-20-24(12-16-36(30)47-35)46-32-8-4-2-6-26(32)28-18-22(38(42,43)44)10-14-34(28)46/h1-20H
InChIKeyVUWTYKYEXSVECC-UHFFFAOYSA-N
XLogP11.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.58
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (CID 134343726) is 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1.
What is the InChIKey of 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is VUWTYKYEXSVECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F6N2O/c39-37(40,41)21-9-13-33-27(17-21)25-5-1-3-7-31(25)45(33)23-11-15-35-29(19-23)30-20-24(12-16-36(30)47-35)46-32-8-4-2-6-26(32)28-18-22(38(42,43)44)10-14-34(28)46/h1-20H.
What are the key properties of 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 634.58 g/mol, XLogP of 11.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 134343726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).