3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile

C43H26N2O — CID 126610434

IUPAC3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C43H26N2O/c44-27-28-10-9-11-30(22-28)34-12-1-2-13-35(34)32-23-31(29-20-21-43-39(26-29)38-16-5-8-19-42(38)46-43)24-33(25-32)45-40-17-6-3-14-36(40)37-15-4-7-18-41(37)45/h1-26H
InChIKeyFNATXLLOZYTAEN-UHFFFAOYSA-N
MW586.69 g/mol
LogP11.56
Rot. Bonds4

About 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile

3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile (PubChem CID 126610434) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
PubChem CID126610434
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC Name3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C43H26N2O/c44-27-28-10-9-11-30(22-28)34-12-1-2-13-35(34)32-23-31(29-20-21-43-39(26-29)38-16-5-8-19-42(38)46-43)24-33(25-32)45-40-17-6-3-14-36(40)37-15-4-7-18-41(37)45/h1-26H
InChIKeyFNATXLLOZYTAEN-UHFFFAOYSA-N
XLogP11.56
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
9-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile
CID 162133959
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
CID 126761717
3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158402790
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 140922255

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile?
The IUPAC name of 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile (CID 126610434) is 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile?
The InChIKey is FNATXLLOZYTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c44-27-28-10-9-11-30(22-28)34-12-1-2-13-35(34)32-23-31(29-20-21-43-39(26-29)38-16-5-8-19-42(38)46-43)24-33(25-32)45-40-17-6-3-14-36(40)37-15-4-7-18-41(37)45/h1-26H.
What are the key properties of 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile?
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile has a molecular weight of 586.69 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 126610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).