9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole

C52H33N3S — CID 139556197

IUPAC9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)46-33-45(37-17-8-3-9-18-37)53-52(54-46)42-20-12-22-48-51(42)41-19-10-11-21-47(41)55(48)40-28-30-50-44(32-40)43-31-39(27-29-49(43)56-50)35-15-6-2-7-16-35/h1-33H
InChIKeyNUFKCQXYWYRAGK-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.28
Rot. Bonds6

About 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole

9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole (PubChem CID 139556197) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
PubChem CID139556197
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C52H33N3S/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)46-33-45(37-17-8-3-9-18-37)53-52(54-46)42-20-12-22-48-51(42)41-19-10-11-21-47(41)55(48)40-28-30-50-44(32-40)43-31-39(27-29-49(43)56-50)35-15-6-2-7-16-35/h1-33H
InChIKeyNUFKCQXYWYRAGK-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-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556153
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
9-dibenzothiophen-2-yl-4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139556307
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139556264
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
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-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
2,4-diphenyl-6-[8-(6-phenylphenanthren-3-yl)dibenzothiophen-1-yl]-1,3,5-triazine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 160827716
19-[8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917228

Frequently Asked Questions

What is the IUPAC name of 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole?
The IUPAC name of 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole (CID 139556197) is 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole.
What is the SMILES notation for 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole?
The canonical SMILES for 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5c4c4ccccc4n5-c4ccc5sc6ccc(-c7ccccc7)cc6c5c4)n3)cc2)cc1.
What is the InChIKey of 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole?
The InChIKey is NUFKCQXYWYRAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)46-33-45(37-17-8-3-9-18-37)53-52(54-46)42-20-12-22-48-51(42)41-19-10-11-21-47(41)55(48)40-28-30-50-44(32-40)43-31-39(27-29-49(43)56-50)35-15-6-2-7-16-35/h1-33H.
What are the key properties of 9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole?
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)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-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole is sourced from PubChem (CID 139556197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).