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

C52H24N6O2 — CID 129300213

IUPAC2-([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
SMILESN#Cc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc(C#N)c1-c1cc(C#N)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(C#N)c1
InChIInChI=1S/C52H24N6O2/c53-25-30-19-34(57-43-13-5-1-10-36(43)40-23-49-42(22-45(40)57)38-12-4-8-16-48(38)59-49)20-31(26-54)51(30)29-17-32(27-55)52(33(18-29)28-56)58-44-14-6-2-9-35(44)39-21-41-37-11-3-7-15-47(37)60-50(41)24-46(39)58/h1-24H
InChIKeySBDGZBHHJGCWRX-UHFFFAOYSA-N
MW764.80 g/mol
LogP12.83
Rot. Bonds3

About 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

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 (PubChem CID 129300213) has the molecular formula C52H24N6O2 and a molecular weight of 764.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-([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
PubChem CID129300213
Molecular FormulaC52H24N6O2
Molecular Weight764.80 g/mol
Exact Mass764.20
IUPAC Name2-([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
SMILESN#Cc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc(C#N)c1-c1cc(C#N)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(C#N)c1
InChIInChI=1S/C52H24N6O2/c53-25-30-19-34(57-43-13-5-1-10-36(43)40-23-49-42(22-45(40)57)38-12-4-8-16-48(38)59-49)20-31(26-54)51(30)29-17-32(27-55)52(33(18-29)28-56)58-44-14-6-2-9-35(44)39-21-41-37-11-3-7-15-47(37)60-50(41)24-46(39)58/h1-24H
InChIKeySBDGZBHHJGCWRX-UHFFFAOYSA-N
XLogP12.83
TPSA131.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.80
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4,5-bis([1]benzofuro[3,2-b]carbazol-11-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 174169849
3-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2,3-dicyanophenyl]-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
CID 129300340
5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339961
5-phenyl-4,6-bis(8-phenyl-[1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 166874417
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-isocyanophenyl]benzonitrile
CID 140793936
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
2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
CID 139339701
2,4-bis([1]benzofuro[3,2-b]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 163559346
3-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-4-isocyanobenzonitrile
CID 167381379
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 129291132
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc(C#N)c1-c1cc(C#N)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(C#N)c1.
What is the InChIKey of 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?
The InChIKey is SBDGZBHHJGCWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H24N6O2/c53-25-30-19-34(57-43-13-5-1-10-36(43)40-23-49-42(22-45(40)57)38-12-4-8-16-48(38)59-49)20-31(26-54)51(30)29-17-32(27-55)52(33(18-29)28-56)58-44-14-6-2-9-35(44)39-21-41-37-11-3-7-15-47(37)60-50(41)24-46(39)58/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 764.80 g/mol, XLogP of 12.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129300213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).