9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile

C37H21N3O — CID 118396693

IUPAC9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C37H21N3O/c38-22-23-9-7-13-28-25-10-1-4-15-31(25)39(36(23)28)24-19-20-33-30(21-24)26-11-2-5-16-32(26)40(33)34-17-8-14-29-27-12-3-6-18-35(27)41-37(29)34/h1-21H
InChIKeyMBIGUFNDIHXJFM-UHFFFAOYSA-N
MW523.60 g/mol
LogP9.65
Rot. Bonds2

About 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile

9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile (PubChem CID 118396693) has the molecular formula C37H21N3O and a molecular weight of 523.60 g/mol. Its IUPAC name is 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
PubChem CID118396693
Molecular FormulaC37H21N3O
Molecular Weight523.60 g/mol
Exact Mass523.17
IUPAC Name9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C37H21N3O/c38-22-23-9-7-13-28-25-10-1-4-15-31(25)39(36(23)28)24-19-20-33-30(21-24)26-11-2-5-16-32(26)40(33)34-17-8-14-29-27-12-3-6-18-35(27)41-37(29)34/h1-21H
InChIKeyMBIGUFNDIHXJFM-UHFFFAOYSA-N
XLogP9.65
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-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-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 129291177
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
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-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
2-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329266
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile (CID 118396693) is 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile is N#Cc1cccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3oc3ccccc34)c12.
What is the InChIKey of 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile?
The InChIKey is MBIGUFNDIHXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O/c38-22-23-9-7-13-28-25-10-1-4-15-31(25)39(36(23)28)24-19-20-33-30(21-24)26-11-2-5-16-32(26)40(33)34-17-8-14-29-27-12-3-6-18-35(27)41-37(29)34/h1-21H.
What are the key properties of 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile?
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile has a molecular weight of 523.60 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 118396693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).