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

C52H33N3S — CID 139556153

IUPAC9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)38-17-11-18-39(31-38)45-33-46(54-52(53-45)37-15-5-2-6-16-37)42-21-12-23-48-51(42)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)41-19-8-10-24-49(41)56-50/h1-33H
InChIKeyLOMCLDSJWMOFSJ-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.28
Rot. Bonds6

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

9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole (PubChem CID 139556153) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
PubChem CID139556153
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)38-17-11-18-39(31-38)45-33-46(54-52(53-45)37-15-5-2-6-16-37)42-21-12-23-48-51(42)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)41-19-8-10-24-49(41)56-50/h1-33H
InChIKeyLOMCLDSJWMOFSJ-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

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Related Compounds

9-dibenzothiophen-2-yl-4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139556307
4-[2-dibenzothiophen-3-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154646
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154231
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556117
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
9-dibenzothiophen-4-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556070
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole (CID 139556153) is 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)nc(-c5ccccc5)n4)c3)cc2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The InChIKey is LOMCLDSJWMOFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)38-17-11-18-39(31-38)45-33-46(54-52(53-45)37-15-5-2-6-16-37)42-21-12-23-48-51(42)43-20-7-9-22-47(43)55(48)40-29-30-50-44(32-40)41-19-8-10-24-49(41)56-50/h1-33H.
What are the key properties of 9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-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-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 139556153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).