3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile

C37H20N4S — CID 167012515

IUPAC3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)cnc2C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C37H20N4S/c38-20-25-18-24(30-19-26(22-40-31(30)21-39)23-8-2-1-3-9-23)14-16-32(25)41-33-12-6-4-11-29(33)36-34(41)17-15-28-27-10-5-7-13-35(27)42-37(28)36/h1-19,22H
InChIKeySOBFXDQTMDBOAC-UHFFFAOYSA-N
MW552.66 g/mol
LogP9.62
Rot. Bonds3

About 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile

3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile (PubChem CID 167012515) has the molecular formula C37H20N4S and a molecular weight of 552.66 g/mol. Its IUPAC name is 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile
PubChem CID167012515
Molecular FormulaC37H20N4S
Molecular Weight552.66 g/mol
Exact Mass552.14
IUPAC Name3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)cnc2C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C37H20N4S/c38-20-25-18-24(30-19-26(22-40-31(30)21-39)23-8-2-1-3-9-23)14-16-32(25)41-33-12-6-4-11-29(33)36-34(41)17-15-28-27-10-5-7-13-35(27)42-37(28)36/h1-19,22H
InChIKeySOBFXDQTMDBOAC-UHFFFAOYSA-N
XLogP9.62
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-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

3-[3-cyano-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-5-phenylpyridine-2-carbonitrile
CID 167012503
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495517
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 146266146
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 129300030
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664858
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 170267952
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664694
3-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543871
5-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543874
5-[2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-isocyanophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 153432335
5-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-isocyanophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 153432252

Frequently Asked Questions

What is the IUPAC name of 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile?
The IUPAC name of 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile (CID 167012515) is 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile?
The canonical SMILES for 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile is N#Cc1cc(-c2cc(-c3ccccc3)cnc2C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile?
The InChIKey is SOBFXDQTMDBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N4S/c38-20-25-18-24(30-19-26(22-40-31(30)21-39)23-8-2-1-3-9-23)14-16-32(25)41-33-12-6-4-11-29(33)36-34(41)17-15-28-27-10-5-7-13-35(27)42-37(28)36/h1-19,22H.
What are the key properties of 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile?
3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile has a molecular weight of 552.66 g/mol, XLogP of 9.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]-5-phenylpyridine-2-carbonitrile is sourced from PubChem (CID 167012515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).