9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile

C38H20N4S — CID 118396582

IUPAC9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1ccc2sc3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3c2c1
InChIInChI=1S/C38H20N4S/c39-21-23-8-5-14-31-36(23)26-10-1-3-12-29(26)41(31)25-18-19-34-28(20-25)38-33(16-7-17-35(38)43-34)42-30-13-4-2-11-27(30)37-24(22-40)9-6-15-32(37)42/h1-20H
InChIKeyJAQBQWSBTNMJHY-UHFFFAOYSA-N
MW564.67 g/mol
LogP9.99
Rot. Bonds2

About 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile

9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile (PubChem CID 118396582) has the molecular formula C38H20N4S and a molecular weight of 564.67 g/mol. Its IUPAC name is 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
PubChem CID118396582
Molecular FormulaC38H20N4S
Molecular Weight564.67 g/mol
Exact Mass564.14
IUPAC Name9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1ccccc1n2-c1ccc2sc3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3c2c1
InChIInChI=1S/C38H20N4S/c39-21-23-8-5-14-31-36(23)26-10-1-3-12-29(26)41(31)25-18-19-34-28(20-25)38-33(16-7-17-35(38)43-34)42-30-13-4-2-11-27(30)37-24(22-40)9-6-15-32(37)42/h1-20H
InChIKeyJAQBQWSBTNMJHY-UHFFFAOYSA-N
XLogP9.99
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-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

3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707
9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
CID 175634748
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile
CID 144923050

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile?
The IUPAC name of 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile (CID 118396582) is 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile is N#Cc1cccc2c1c1ccccc1n2-c1ccc2sc3cccc(-n4c5ccccc5c5c(C#N)cccc54)c3c2c1.
What is the InChIKey of 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile?
The InChIKey is JAQBQWSBTNMJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4S/c39-21-23-8-5-14-31-36(23)26-10-1-3-12-29(26)41(31)25-18-19-34-28(20-25)38-33(16-7-17-35(38)43-34)42-30-13-4-2-11-27(30)37-24(22-40)9-6-15-32(37)42/h1-20H.
What are the key properties of 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile?
9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile has a molecular weight of 564.67 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile is sourced from PubChem (CID 118396582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).