9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole

C52H31N3OS — CID 147547401

IUPAC9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C52H31N3OS/c1-2-12-32(13-3-1)52-53-44(34-23-25-51-43(30-34)41-17-7-11-21-50(41)57-51)31-45(54-52)36-26-35(33-22-24-49-42(29-33)40-16-6-10-20-48(40)56-49)27-37(28-36)55-46-18-8-4-14-38(46)39-15-5-9-19-47(39)55/h1-31H
InChIKeyFQCIWGGXMIMBPN-UHFFFAOYSA-N
MW745.91 g/mol
LogP14.51
Rot. Bonds5

About 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole

9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 147547401) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID147547401
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C52H31N3OS/c1-2-12-32(13-3-1)52-53-44(34-23-25-51-43(30-34)41-17-7-11-21-50(41)57-51)31-45(54-52)36-26-35(33-22-24-49-42(29-33)40-16-6-10-20-48(40)56-49)27-37(28-36)55-46-18-8-4-14-38(46)39-15-5-9-19-47(39)55/h1-31H
InChIKeyFQCIWGGXMIMBPN-UHFFFAOYSA-N
XLogP14.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]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

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 162190539
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158229198
3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 160542300
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
3-[3-carbazol-9-yl-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole
CID 154950110

Frequently Asked Questions

What is the IUPAC name of 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole (CID 147547401) is 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is FQCIWGGXMIMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-2-12-32(13-3-1)52-53-44(34-23-25-51-43(30-34)41-17-7-11-21-50(41)57-51)31-45(54-52)36-26-35(33-22-24-49-42(29-33)40-16-6-10-20-48(40)56-49)27-37(28-36)55-46-18-8-4-14-38(46)39-15-5-9-19-47(39)55/h1-31H.
What are the key properties of 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole?
9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 745.91 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 147547401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).