9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C52H33N3S — CID 139555195

IUPAC9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)n4)c3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)38-16-11-17-39(30-38)47-33-46(37-14-5-2-6-15-37)53-52(54-47)40-26-28-43-42-18-7-9-20-48(42)55(49(43)31-40)41-27-29-51-45(32-41)44-19-8-10-21-50(44)56-51/h1-33H
InChIKeyNUJDRHMZIZEZSU-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.28
Rot. Bonds6

About 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 139555195) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
PubChem CID139555195
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)n4)c3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)38-16-11-17-39(30-38)47-33-46(37-14-5-2-6-15-37)53-52(54-47)40-26-28-43-42-18-7-9-20-48(42)55(49(43)31-40)41-27-29-51-45(32-41)44-19-8-10-21-50(44)56-51/h1-33H
InChIKeyNUJDRHMZIZEZSU-UHFFFAOYSA-N
XLogP14.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-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

2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 134236738
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
11-dibenzothiophen-2-yl-12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385334
9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556153
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(3-isocyanophenyl)-6-phenylpyrimidin-2-yl]carbazole
CID 123538848
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 171053255

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 139555195) is 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)n4)c3)cc2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The InChIKey is NUJDRHMZIZEZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-3-12-34(13-4-1)35-22-24-36(25-23-35)38-16-11-17-39(30-38)47-33-46(37-14-5-2-6-15-37)53-52(54-47)40-26-28-43-42-18-7-9-20-48(42)55(49(43)31-40)41-27-29-51-45(32-41)44-19-8-10-21-50(44)56-51/h1-33H.
What are the key properties of 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 731.92 g/mol, XLogP of 14.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 139555195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).