9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole

C52H32N4S — CID 153300086

IUPAC9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(sc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-17-33(18-4-1)42-32-43(34-19-5-2-6-20-34)54-52(53-42)41-31-40-39-25-11-16-30-48(39)57-51(40)50(56-46-28-14-9-23-37(46)38-24-10-15-29-47(38)56)49(41)55-44-26-12-7-21-35(44)36-22-8-13-27-45(36)55/h1-32H
InChIKeyFFHCHEIPZDFKQA-UHFFFAOYSA-N
MW744.92 g/mol
LogP14.04
Rot. Bonds5

About 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole

9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 153300086) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole
PubChem CID153300086
Molecular FormulaC52H32N4S
Molecular Weight744.92 g/mol
Exact Mass744.23
IUPAC Name9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(sc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C52H32N4S/c1-3-17-33(18-4-1)42-32-43(34-19-5-2-6-20-34)54-52(53-42)41-31-40-39-25-11-16-30-48(39)57-51(40)50(56-46-28-14-9-23-37(46)38-24-10-15-29-47(38)56)49(41)55-44-26-12-7-21-35(44)36-22-8-13-27-45(36)55/h1-32H
InChIKeyFFHCHEIPZDFKQA-UHFFFAOYSA-N
XLogP14.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole 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-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
2-phenanthro[1,2-b][1]benzothiol-13-yl-4,6-diphenylpyrimidine
CID 154595775
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158853186
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
2-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165076970
9-[8-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzothiol-5-yl]carbazole
CID 164707461
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
2-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 162781009
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 118507640
7-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163763843

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole (CID 153300086) is 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(sc5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole?
The InChIKey is FFHCHEIPZDFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-3-17-33(18-4-1)42-32-43(34-19-5-2-6-20-34)54-52(53-42)41-31-40-39-25-11-16-30-48(39)57-51(40)50(56-46-28-14-9-23-37(46)38-24-10-15-29-47(38)56)49(41)55-44-26-12-7-21-35(44)36-22-8-13-27-45(36)55/h1-32H.
What are the key properties of 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole?
9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole has a molecular weight of 744.92 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 153300086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).