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

C52H33N3S — CID 139556200

IUPAC4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cccc54)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)43-31-39(32-44-40-21-11-13-26-49(40)56-51(43)44)55-47-24-12-10-22-41(47)50-42(23-14-25-48(50)55)52-53-45(37-17-6-2-7-18-37)33-46(54-52)38-19-8-3-9-20-38/h1-33H
InChIKeyHMUOSCKWFICESK-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.28
Rot. Bonds6

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

4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 139556200) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
PubChem CID139556200
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cccc54)cc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)43-31-39(32-44-40-21-11-13-26-49(40)56-51(43)44)55-47-24-12-10-22-41(47)50-42(23-14-25-48(50)55)52-53-45(37-17-6-2-7-18-37)33-46(54-52)38-19-8-3-9-20-38/h1-33H
InChIKeyHMUOSCKWFICESK-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-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139556264
9-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
4-[4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170151798
4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154231
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922
4-(9-phenylcarbazol-2-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;4-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 157394578
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
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 139556171
4-(4-dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534565

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole (CID 139556200) is 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cccc54)cc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole?
The InChIKey is HMUOSCKWFICESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-4-15-34(16-5-1)35-27-29-36(30-28-35)43-31-39(32-44-40-21-11-13-26-49(40)56-51(43)44)55-47-24-12-10-22-41(47)50-42(23-14-25-48(50)55)52-53-45(37-17-6-2-7-18-37)33-46(54-52)38-19-8-3-9-20-38/h1-33H.
What are the key properties of 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole?
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-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 4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 139556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).