3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile

C43H25N3O — CID 139340044

IUPAC3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c1
InChIInChI=1S/C43H25N3O/c44-26-27-10-9-11-28(20-27)29-21-30(45-38-16-5-1-12-32(38)33-13-2-6-17-39(33)45)23-31(22-29)46-40-18-7-3-14-34(40)36-24-37-35-15-4-8-19-42(35)47-43(37)25-41(36)46/h1-25H
InChIKeyXYYIVIIIAXSBHG-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile

3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile (PubChem CID 139340044) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
PubChem CID139340044
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c1
InChIInChI=1S/C43H25N3O/c44-26-27-10-9-11-28(20-27)29-21-30(45-38-16-5-1-12-32(38)33-13-2-6-17-39(33)45)23-31(22-29)46-40-18-7-3-14-34(40)36-24-37-35-15-4-8-19-42(35)47-43(37)25-41(36)46/h1-25H
InChIKeyXYYIVIIIAXSBHG-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922255
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
2-[3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146543626
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
9-[3-[3-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile
CID 158987615
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-2-isocyanobenzonitrile
CID 140794042

Frequently Asked Questions

What is the IUPAC name of 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile?
The IUPAC name of 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile (CID 139340044) is 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile.
What is the SMILES notation for 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile?
The canonical SMILES for 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c1.
What is the InChIKey of 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile?
The InChIKey is XYYIVIIIAXSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-27-10-9-11-28(20-27)29-21-30(45-38-16-5-1-12-32(38)33-13-2-6-17-39(33)45)23-31(22-29)46-40-18-7-3-14-34(40)36-24-37-35-15-4-8-19-42(35)47-43(37)25-41(36)46/h1-25H.
What are the key properties of 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile?
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile is sourced from PubChem (CID 139340044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).