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

C54H32N6 — CID 170284889

IUPAC5-[9-[2-[2-(6-cyano-5-propan-2-ylnaphthalen-1-yl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESCC(C)c1c(C#N)ccc2c(-c3ccccc3-c3ccccc3-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cccc12
InChIInChI=1S/C54H32N6/c1-33(2)54-40(32-59)14-17-46-44(11-7-12-48(46)54)43-8-3-4-9-45(43)47-10-5-6-13-51(47)60-52-18-15-38(41-22-34(28-55)20-35(23-41)29-56)26-49(52)50-27-39(16-19-53(50)60)42-24-36(30-57)21-37(25-42)31-58/h3-27,33H,1-2H3
InChIKeyOJJPQYGIXKMQNZ-UHFFFAOYSA-N
MW764.89 g/mol
LogP13.09
Rot. Bonds6

About 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

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 (PubChem CID 170284889) has the molecular formula C54H32N6 and a molecular weight of 764.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[9-[2-[2-(6-cyano-5-propan-2-ylnaphthalen-1-yl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID170284889
Molecular FormulaC54H32N6
Molecular Weight764.89 g/mol
Exact Mass764.27
IUPAC Name5-[9-[2-[2-(6-cyano-5-propan-2-ylnaphthalen-1-yl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESCC(C)c1c(C#N)ccc2c(-c3ccccc3-c3ccccc3-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cccc12
InChIInChI=1S/C54H32N6/c1-33(2)54-40(32-59)14-17-46-44(11-7-12-48(46)54)43-8-3-4-9-45(43)47-10-5-6-13-51(47)60-52-18-15-38(41-22-34(28-55)20-35(23-41)29-56)26-49(52)50-27-39(16-19-53(50)60)42-24-36(30-57)21-37(25-42)31-58/h3-27,33H,1-2H3
InChIKeyOJJPQYGIXKMQNZ-UHFFFAOYSA-N
XLogP13.09
TPSA123.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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-[9-[2-(5-cyanopyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 170284994
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
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
CID 122431631
5-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284834
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
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
4-[2-[2-[3,6-bis(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 169284776

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c(C#N)ccc2c(-c3ccccc3-c3ccccc3-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cccc12.
What is the InChIKey of 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?
The InChIKey is OJJPQYGIXKMQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6/c1-33(2)54-40(32-59)14-17-46-44(11-7-12-48(46)54)43-8-3-4-9-45(43)47-10-5-6-13-51(47)60-52-18-15-38(41-22-34(28-55)20-35(23-41)29-56)26-49(52)50-27-39(16-19-53(50)60)42-24-36(30-57)21-37(25-42)31-58/h3-27,33H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 764.89 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170284889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).