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

C38H23F3N2O — CID 134337708

IUPAC3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C38H23F3N2O/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43/h2-21H,1H3
InChIKeyLPDOPCQWNWVYDL-UHFFFAOYSA-N
MW580.61 g/mol
LogP11.11
Rot. Bonds2

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

3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (PubChem CID 134337708) has the molecular formula C38H23F3N2O and a molecular weight of 580.61 g/mol. Its IUPAC name is 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
PubChem CID134337708
Molecular FormulaC38H23F3N2O
Molecular Weight580.61 g/mol
Exact Mass580.18
IUPAC Name3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C38H23F3N2O/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43/h2-21H,1H3
InChIKeyLPDOPCQWNWVYDL-UHFFFAOYSA-N
XLogP11.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.61
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (CID 134337708) is 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1.
What is the InChIKey of 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is LPDOPCQWNWVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F3N2O/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43/h2-21H,1H3.
What are the key properties of 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 580.61 g/mol, XLogP of 11.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 134337708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).