5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

C41H19N7 — CID 139538845

IUPAC5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc(C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C41H19N7/c42-20-25-9-11-33-31-5-1-3-7-36(31)47(39(33)16-25)38-19-35(29-14-27(22-44)13-28(15-29)23-45)41(18-30(38)24-46)48-37-8-4-2-6-32(37)34-12-10-26(21-43)17-40(34)48/h1-19H
InChIKeySXPMIAKUIRKPNY-UHFFFAOYSA-N
MW609.65 g/mol
LogP8.91
Rot. Bonds3

About 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 139538845) has the molecular formula C41H19N7 and a molecular weight of 609.65 g/mol. Its IUPAC name is 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID139538845
Molecular FormulaC41H19N7
Molecular Weight609.65 g/mol
Exact Mass609.17
IUPAC Name5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc(C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C41H19N7/c42-20-25-9-11-33-31-5-1-3-7-36(31)47(39(33)16-25)38-19-35(29-14-27(22-44)13-28(15-29)23-45)41(18-30(38)24-46)48-37-8-4-2-6-32(37)34-12-10-26(21-43)17-40(34)48/h1-19H
InChIKeySXPMIAKUIRKPNY-UHFFFAOYSA-N
XLogP8.91
TPSA128.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.65
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]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

9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061
9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
CID 134287663
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
9-[2-cyano-4-(2-cyano-7-isocyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 155646678
4-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386904
9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 142502036
4-(3-cyano-5-methylphenyl)-2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 159036284
5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129312878
4-(3-cyano-5-methylphenyl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159351324

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile (CID 139538845) is 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc(C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is SXPMIAKUIRKPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H19N7/c42-20-25-9-11-33-31-5-1-3-7-36(31)47(39(33)16-25)38-19-35(29-14-27(22-44)13-28(15-29)23-45)41(18-30(38)24-46)48-37-8-4-2-6-32(37)34-12-10-26(21-43)17-40(34)48/h1-19H.
What are the key properties of 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile?
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 609.65 g/mol, XLogP of 8.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139538845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).