9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile

C43H24N2OS — CID 147995432

IUPAC9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C43H24N2OS/c44-25-26-17-19-31-30-11-4-6-14-37(30)45(39(31)21-26)38-15-8-13-33-36-24-29(23-34(42(36)46-43(33)38)27-9-2-1-3-10-27)28-18-20-41-35(22-28)32-12-5-7-16-40(32)47-41/h1-24H
InChIKeyIVXHLJMJPKJSBY-UHFFFAOYSA-N
MW616.75 g/mol
LogP12.26
Rot. Bonds3

About 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile

9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile (PubChem CID 147995432) has the molecular formula C43H24N2OS and a molecular weight of 616.75 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
PubChem CID147995432
Molecular FormulaC43H24N2OS
Molecular Weight616.75 g/mol
Exact Mass616.16
IUPAC Name9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1
InChIInChI=1S/C43H24N2OS/c44-25-26-17-19-31-30-11-4-6-14-37(30)45(39(31)21-26)38-15-8-13-33-36-24-29(23-34(42(36)46-43(33)38)27-9-2-1-3-10-27)28-18-20-41-35(22-28)32-12-5-7-16-40(32)47-41/h1-24H
InChIKeyIVXHLJMJPKJSBY-UHFFFAOYSA-N
XLogP12.26
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.75
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-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-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 146810331
9-(8-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 147134992
6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
9-(8-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 146964838
9-(8-dibenzothiophen-1-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-3-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole
CID 157074673
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
9-(6-cyano-8-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149228973
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
6-carbazol-9-yl-1-dibenzothiophen-2-yldibenzofuran-4-carbonitrile
CID 147072879
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile (CID 147995432) is 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3oc3c(-c5ccccc5)cc(-c5ccc6sc7ccccc7c6c5)cc34)c2c1.
What is the InChIKey of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
The InChIKey is IVXHLJMJPKJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2OS/c44-25-26-17-19-31-30-11-4-6-14-37(30)45(39(31)21-26)38-15-8-13-33-36-24-29(23-34(42(36)46-43(33)38)27-9-2-1-3-10-27)28-18-20-41-35(22-28)32-12-5-7-16-40(32)47-41/h1-24H.
What are the key properties of 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile?
9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile has a molecular weight of 616.75 g/mol, XLogP of 12.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 147995432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).