9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile

C27H16N4 — CID 122501086

IUPAC9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
SMILESCn1c2ccccc2c2cc(-n3c4ccc(C#N)cc4c4cccc(C#N)c43)ccc21
InChIInChI=1S/C27H16N4/c1-30-24-8-3-2-6-20(24)23-14-19(10-12-25(23)30)31-26-11-9-17(15-28)13-22(26)21-7-4-5-18(16-29)27(21)31/h2-14H,1H3
InChIKeyOWXOPZWJHHDKIG-UHFFFAOYSA-N
MW396.45 g/mol
LogP6.17
Rot. Bonds1

About 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile

9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile (PubChem CID 122501086) has the molecular formula C27H16N4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
PubChem CID122501086
Molecular FormulaC27H16N4
Molecular Weight396.45 g/mol
Exact Mass396.14
IUPAC Name9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
SMILESCn1c2ccccc2c2cc(-n3c4ccc(C#N)cc4c4cccc(C#N)c43)ccc21
InChIInChI=1S/C27H16N4/c1-30-24-8-3-2-6-20(24)23-14-19(10-12-25(23)30)31-26-11-9-17(15-28)13-22(26)21-7-4-5-18(16-29)27(21)31/h2-14H,1H3
InChIKeyOWXOPZWJHHDKIG-UHFFFAOYSA-N
XLogP6.17
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(9-methylcarbazol-3-yl)carbazole-1,6-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-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053

Frequently Asked Questions

What is the IUPAC name of 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile (CID 122501086) is 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile is Cn1c2ccccc2c2cc(-n3c4ccc(C#N)cc4c4cccc(C#N)c43)ccc21.
What is the InChIKey of 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile?
The InChIKey is OWXOPZWJHHDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4/c1-30-24-8-3-2-6-20(24)23-14-19(10-12-25(23)30)31-26-11-9-17(15-28)13-22(26)21-7-4-5-18(16-29)27(21)31/h2-14H,1H3.
What are the key properties of 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile?
9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile has a molecular weight of 396.45 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 122501086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).