5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile

C51H25N5O2 — CID 167401604

IUPAC5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc(C#N)c1C#N
InChIInChI=1S/C51H25N5O2/c52-26-29-19-31(55-44-13-5-1-9-34(44)39-22-41-36-11-3-7-15-48(36)57-50(41)24-46(39)55)17-18-33(29)38-21-32(20-30(27-53)43(38)28-54)56-45-14-6-2-10-35(45)40-23-42-37-12-4-8-16-49(37)58-51(42)25-47(40)56/h1-25H
InChIKeyHWLAFZOZDYMNNE-UHFFFAOYSA-N
MW739.79 g/mol
LogP12.96
Rot. Bonds3

About 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile

5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile (PubChem CID 167401604) has the molecular formula C51H25N5O2 and a molecular weight of 739.79 g/mol. Its IUPAC name is 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile
PubChem CID167401604
Molecular FormulaC51H25N5O2
Molecular Weight739.79 g/mol
Exact Mass739.20
IUPAC Name5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc(C#N)c1C#N
InChIInChI=1S/C51H25N5O2/c52-26-29-19-31(55-44-13-5-1-9-34(44)39-22-41-36-11-3-7-15-48(36)57-50(41)24-46(39)55)17-18-33(29)38-21-32(20-30(27-53)43(38)28-54)56-45-14-6-2-10-35(45)40-23-42-37-12-4-8-16-49(37)58-51(42)25-47(40)56/h1-25H
InChIKeyHWLAFZOZDYMNNE-UHFFFAOYSA-N
XLogP12.96
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.79
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

3-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2,3-dicyanophenyl]-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
CID 129300340
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-2,6-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129300213
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291167
3-([1]benzofuro[2,3-b]carbazol-7-yl)-6-(2-carbazol-9-yl-5-cyanophenyl)benzene-1,2-dicarbonitrile
CID 129291008
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631014
5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 160666217
5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
CID 155080659
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile (CID 167401604) is 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc(C#N)c1C#N.
What is the InChIKey of 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile?
The InChIKey is HWLAFZOZDYMNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H25N5O2/c52-26-29-19-31(55-44-13-5-1-9-34(44)39-22-41-36-11-3-7-15-48(36)57-50(41)24-46(39)55)17-18-33(29)38-21-32(20-30(27-53)43(38)28-54)56-45-14-6-2-10-35(45)40-23-42-37-12-4-8-16-49(37)58-51(42)25-47(40)56/h1-25H.
What are the key properties of 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile?
5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile has a molecular weight of 739.79 g/mol, XLogP of 12.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-2-cyanophenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 167401604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).