5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C41H27N5 — CID 170284779

IUPAC5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccccc2C2C3CCC2CC3)c1
InChIInChI=1S/C41H27N5/c42-21-25-13-26(22-43)16-33(15-25)31-9-11-39-36(19-31)37-20-32(34-17-27(23-44)14-28(18-34)24-45)10-12-40(37)46(39)38-4-2-1-3-35(38)41-29-5-6-30(41)8-7-29/h1-4,9-20,29-30,41H,5-8H2
InChIKeyZYBKEVVTJUMXAW-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.51
Rot. Bonds4

About 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 170284779) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID170284779
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccccc2C2C3CCC2CC3)c1
InChIInChI=1S/C41H27N5/c42-21-25-13-26(22-43)16-33(15-25)31-9-11-39-36(19-31)37-20-32(34-17-27(23-44)14-28(18-34)24-45)10-12-40(37)46(39)38-4-2-1-3-35(38)41-29-5-6-30(41)8-7-29/h1-4,9-20,29-30,41H,5-8H2
InChIKeyZYBKEVVTJUMXAW-UHFFFAOYSA-N
XLogP9.51
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[6-[3,5-bis(3,5-dicyanophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-5-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
CID 170286516
5-[9-[2-(5-cyanopyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 170284994
5-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284834
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146847580
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155217684
5-[3-(3-cyano-5-isocyanophenyl)-5-[6-[3-(3-cyano-5-isocyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]-9-(2-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284899
3-[9-(2-tert-butylphenyl)-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-5-isocyanobenzonitrile
CID 169284741
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
5-[9-[2-[2-(6-cyano-5-propan-2-ylnaphthalen-1-yl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 170284889

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 170284779) is 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccccc2C2C3CCC2CC3)c1.
What is the InChIKey of 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ZYBKEVVTJUMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c42-21-25-13-26(22-43)16-33(15-25)31-9-11-39-36(19-31)37-20-32(34-17-27(23-44)14-28(18-34)24-45)10-12-40(37)46(39)38-4-2-1-3-35(38)41-29-5-6-30(41)8-7-29/h1-4,9-20,29-30,41H,5-8H2.
What are the key properties of 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 589.70 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-(7-bicyclo[2.2.1]heptanyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 170284779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).