3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
C152H84N12O4 — CID 165075968
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4C#N)cc3c2c1
InChIInChI=1S/4C38H21N3O/c39-22-26-8-7-14-35(41-33-12-4-1-9-29(33)30-10-2-5-13-34(30)41)38(26)28-18-16-24(20-27(28)23-40)25-17-19-37-32(21-25)31-11-3-6-15-36(31)42-37;39-22-24-13-17-37-32(19-24)33-21-26(15-18-38(33)42-37)28-16-14-25(20-27(28)23-40)29-7-1-4-10-34(29)41-35-11-5-2-8-30(35)31-9-3-6-12-36(31)41;39-22-27-17-19-28(38(33(27)23-40)41-34-10-4-1-7-29(34)30-8-2-5-11-35(30)41)25-15-13-24(14-16-25)26-18-20-37-32(21-26)31-9-3-6-12-36(31)42-37;39-22-24-12-18-35-32(20-24)30-7-1-3-10-34(30)41(35)38-28(23-40)6-5-9-29(38)26-15-13-25(14-16-26)27-17-19-37-33(21-27)31-8-2-4-11-36(31)42-37/h4*1-21H
InChIKeyUHQGVDKUXFTXPI-UHFFFAOYSA-N
MW2142.42 g/mol
LogP39.04
Rot. Bonds12
About 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 165075968) has the molecular formula C152H84N12O4 and a molecular weight of 2142.42 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile.
Molecular Properties
| Compound Name | 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile |
|---|---|
| PubChem CID | 165075968 |
| Molecular Formula | C152H84N12O4 |
| Molecular Weight | 2142.42 g/mol |
| Exact Mass | 2140.67 |
| IUPAC Name | 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile |
| SMILES | N#Cc1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4C#N)cc3c2c1 |
| InChI | InChI=1S/4C38H21N3O/c39-22-26-8-7-14-35(41-33-12-4-1-9-29(33)30-10-2-5-13-34(30)41)38(26)28-18-16-24(20-27(28)23-40)25-17-19-37-32(21-25)31-11-3-6-15-36(31)42-37;39-22-24-13-17-37-32(19-24)33-21-26(15-18-38(33)42-37)28-16-14-25(20-27(28)23-40)29-7-1-4-10-34(29)41-35-11-5-2-8-30(35)31-9-3-6-12-36(31)41;39-22-27-17-19-28(38(33(27)23-40)41-34-10-4-1-7-29(34)30-8-2-5-11-35(30)41)25-15-13-24(14-16-25)26-18-20-37-32(21-26)31-9-3-6-12-36(31)42-37;39-22-24-12-18-35-32(20-24)30-7-1-3-10-34(30)41(35)38-28(23-40)6-5-9-29(38)26-15-13-25(14-16-26)27-17-19-37-33(21-27)31-8-2-4-11-36(31)42-37/h4*1-21H |
| InChIKey | UHQGVDKUXFTXPI-UHFFFAOYSA-N |
| XLogP | 39.04 |
| TPSA | 262.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 168 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2142.42 |
| LogP ≤ 5 | 39.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Frequently Asked Questions
What is the IUPAC name of 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile (CID 165075968) is 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2ccc3oc4ccccc4c3c2)ccc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)cccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.N#Cc1ccc2oc3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4C#N)cc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is UHQGVDKUXFTXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C38H21N3O/c39-22-26-8-7-14-35(41-33-12-4-1-9-29(33)30-10-2-5-13-34(30)41)38(26)28-18-16-24(20-27(28)23-40)25-17-19-37-32(21-25)31-11-3-6-15-36(31)42-37;39-22-24-13-17-37-32(19-24)33-21-26(15-18-38(33)42-37)28-16-14-25(20-27(28)23-40)29-7-1-4-10-34(29)41-35-11-5-2-8-30(35)31-9-3-6-12-36(31)41;39-22-27-17-19-28(38(33(27)23-40)41-34-10-4-1-7-29(34)30-8-2-5-11-35(30)41)25-15-13-24(14-16-25)26-18-20-37-32(21-26)31-9-3-6-12-36(31)42-37;39-22-24-12-18-35-32(20-24)30-7-1-3-10-34(30)41(35)38-28(23-40)6-5-9-29(38)26-15-13-25(14-16-26)27-17-19-37-33(21-27)31-8-2-4-11-36(31)42-37/h4*1-21H.
What are the key properties of 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 2142.42 g/mol, XLogP of 39.04, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-(2-cyano-4-dibenzofuran-2-ylphenyl)benzonitrile;3-carbazol-9-yl-4-(4-dibenzofuran-2-ylphenyl)benzene-1,2-dicarbonitrile;8-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]dibenzofuran-2-carbonitrile;9-[2-cyano-6-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 165075968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 165075968 — identifiers, structure, computed properties (public domain)
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