9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile

C44H24F3N3O — CID 71278345

IUPAC9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C44H24F3N3O/c45-44(46,47)29-14-16-34-35-17-15-31(24-43(35)51-42(34)23-29)50-39-11-4-2-9-33(39)37-22-28(13-19-41(37)50)27-6-5-7-30(21-27)49-38-10-3-1-8-32(38)36-20-26(25-48)12-18-40(36)49/h1-24H
InChIKeyGQEIOHPNXFBYID-UHFFFAOYSA-N
MW667.69 g/mol
LogP12.34
Rot. Bonds3

About 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile

9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile (PubChem CID 71278345) has the molecular formula C44H24F3N3O and a molecular weight of 667.69 g/mol. Its IUPAC name is 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
PubChem CID71278345
Molecular FormulaC44H24F3N3O
Molecular Weight667.69 g/mol
Exact Mass667.19
IUPAC Name9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C44H24F3N3O/c45-44(46,47)29-14-16-34-35-17-15-31(24-43(35)51-42(34)23-29)50-39-11-4-2-9-33(39)37-22-28(13-19-41(37)50)27-6-5-7-30(21-27)49-38-10-3-1-8-32(38)36-20-26(25-48)12-18-40(36)49/h1-24H
InChIKeyGQEIOHPNXFBYID-UHFFFAOYSA-N
XLogP12.34
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.69
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile (CID 71278345) is 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(C(F)(F)F)ccc23)c1.
What is the InChIKey of 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile?
The InChIKey is GQEIOHPNXFBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F3N3O/c45-44(46,47)29-14-16-34-35-17-15-31(24-43(35)51-42(34)23-29)50-39-11-4-2-9-33(39)37-22-28(13-19-41(37)50)27-6-5-7-30(21-27)49-38-10-3-1-8-32(38)36-20-26(25-48)12-18-40(36)49/h1-24H.
What are the key properties of 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile?
9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile has a molecular weight of 667.69 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 71278345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).