4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile

C38H20N4O — CID 121307317

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H20N4O/c39-21-23-19-24(22-40)35(20-34(23)41-30-13-5-1-9-25(30)26-10-2-6-14-31(26)41)42-32-15-7-3-12-29(32)37-33(42)18-17-28-27-11-4-8-16-36(27)43-38(28)37/h1-20H
InChIKeyFQIAQKJDMFLDEK-UHFFFAOYSA-N
MW548.61 g/mol
LogP9.52
Rot. Bonds2

About 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile

4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile (PubChem CID 121307317) has the molecular formula C38H20N4O and a molecular weight of 548.61 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
PubChem CID121307317
Molecular FormulaC38H20N4O
Molecular Weight548.61 g/mol
Exact Mass548.16
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H20N4O/c39-21-23-19-24(22-40)35(20-34(23)41-30-13-5-1-9-25(30)26-10-2-6-14-31(26)41)42-32-15-7-3-12-29(32)37-33(42)18-17-28-27-11-4-8-16-36(27)43-38(28)37/h1-20H
InChIKeyFQIAQKJDMFLDEK-UHFFFAOYSA-N
XLogP9.52
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile
CID 129290857
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]-4-carbazol-9-ylbenzene-1,2,3-tricarbonitrile
CID 129299852
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)-2,6-di(carbazol-9-yl)-4-methylbenzonitrile
CID 170001456
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462287
4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339834
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
6-([1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-yl-2-methanimidoylbenzonitrile
CID 121307110

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile (CID 121307317) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile?
The InChIKey is FQIAQKJDMFLDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O/c39-21-23-19-24(22-40)35(20-34(23)41-30-13-5-1-9-25(30)26-10-2-6-14-31(26)41)42-32-15-7-3-12-29(32)37-33(42)18-17-28-27-11-4-8-16-36(27)43-38(28)37/h1-20H.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile has a molecular weight of 548.61 g/mol, XLogP of 9.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 121307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).