9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile

C38H23N3O — CID 126754672

IUPAC9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc4oc5c(-n6c7ccccc7c7ccc(C#N)cc76)cccc5c4c3)c2c1
InChIInChI=1S/C38H23N3O/c1-23-13-16-28-26-7-2-4-10-32(26)40(35(28)19-23)25-15-18-37-31(21-25)30-9-6-12-34(38(30)42-37)41-33-11-5-3-8-27(33)29-17-14-24(22-39)20-36(29)41/h2-21H,1H3
InChIKeyGYDGZYSNNOHEGK-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds2

About 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile

9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile (PubChem CID 126754672) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
PubChem CID126754672
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc4oc5c(-n6c7ccccc7c7ccc(C#N)cc76)cccc5c4c3)c2c1
InChIInChI=1S/C38H23N3O/c1-23-13-16-28-26-7-2-4-10-32(26)40(35(28)19-23)25-15-18-37-31(21-25)30-9-6-12-34(38(30)42-37)41-33-11-5-3-8-27(33)29-17-14-24(22-39)20-36(29)41/h2-21H,1H3
InChIKeyGYDGZYSNNOHEGK-UHFFFAOYSA-N
XLogP9.96
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile 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-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
CID 145179110
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile?
The IUPAC name of 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile (CID 126754672) is 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile is Cc1ccc2c3ccccc3n(-c3ccc4oc5c(-n6c7ccccc7c7ccc(C#N)cc76)cccc5c4c3)c2c1.
What is the InChIKey of 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile?
The InChIKey is GYDGZYSNNOHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-23-13-16-28-26-7-2-4-10-32(26)40(35(28)19-23)25-15-18-37-31(21-25)30-9-6-12-34(38(30)42-37)41-33-11-5-3-8-27(33)29-17-14-24(22-39)20-36(29)41/h2-21H,1H3.
What are the key properties of 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile?
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile has a molecular weight of 537.62 g/mol, XLogP of 9.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile is sourced from PubChem (CID 126754672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).