3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile

C52H31N5S — CID 172500121

IUPAC3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)n1
InChIInChI=1S/C52H31N5S/c53-32-38-30-37(33-15-3-1-4-16-33)31-46(57-44-26-10-7-21-40(44)41-22-8-11-27-45(41)57)48(38)52-55-50(34-17-5-2-6-18-34)54-51(56-52)36-20-13-19-35(29-36)39-24-14-25-43-42-23-9-12-28-47(42)58-49(39)43/h1-31H
InChIKeyXTKYXRCHISPDOL-UHFFFAOYSA-N
MW757.92 g/mol
LogP13.54
Rot. Bonds6

About 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile

3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile (PubChem CID 172500121) has the molecular formula C52H31N5S and a molecular weight of 757.92 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile
PubChem CID172500121
Molecular FormulaC52H31N5S
Molecular Weight757.92 g/mol
Exact Mass757.23
IUPAC Name3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)n1
InChIInChI=1S/C52H31N5S/c53-32-38-30-37(33-15-3-1-4-16-33)31-46(57-44-26-10-7-21-40(44)41-22-8-11-27-45(41)57)48(38)52-55-50(34-17-5-2-6-18-34)54-51(56-52)36-20-13-19-35(29-36)39-24-14-25-43-42-23-9-12-28-47(42)58-49(39)43/h1-31H
InChIKeyXTKYXRCHISPDOL-UHFFFAOYSA-N
XLogP13.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.92
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile 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

4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 172500155
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165033898
3-[4-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;6-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 159388759
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile?
The IUPAC name of 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile (CID 172500121) is 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)n1.
What is the InChIKey of 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile?
The InChIKey is XTKYXRCHISPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5S/c53-32-38-30-37(33-15-3-1-4-16-33)31-46(57-44-26-10-7-21-40(44)41-22-8-11-27-45(41)57)48(38)52-55-50(34-17-5-2-6-18-34)54-51(56-52)36-20-13-19-35(29-36)39-24-14-25-43-42-23-9-12-28-47(42)58-49(39)43/h1-31H.
What are the key properties of 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile?
3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile has a molecular weight of 757.92 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile is sourced from PubChem (CID 172500121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).