9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole

C144H91N9S3 — CID 159932650

IUPAC9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3S.2C46H29N3S/c1-4-17-34(18-5-1)49-48(50(35-19-6-2-7-20-35)54-52(53-49)36-21-8-3-9-22-36)38-24-16-23-37(31-38)43-32-39(33-44-42-27-12-15-30-47(42)56-51(43)44)55-45-28-13-10-25-40(45)41-26-11-14-29-46(41)55;1-3-14-30(15-4-1)44-40(29-47-46(48-44)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-43(37)50-45(38)39)49-41-23-10-7-20-35(41)36-21-8-11-24-42(36)49;1-3-14-30(15-4-1)40-29-41(48-46(47-40)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-44(37)50-45(38)39)49-42-23-10-7-20-35(42)36-21-8-11-24-43(36)49/h1-33H;2*1-29H
InChIKeyNZVNCJODMTWGIE-UHFFFAOYSA-N
MW2043.58 g/mol
LogP39.50
Rot. Bonds16

About 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole

9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole (PubChem CID 159932650) has the molecular formula C144H91N9S3 and a molecular weight of 2043.58 g/mol. Its IUPAC name is 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole
PubChem CID159932650
Molecular FormulaC144H91N9S3
Molecular Weight2043.58 g/mol
Exact Mass2041.66
IUPAC Name9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3S.2C46H29N3S/c1-4-17-34(18-5-1)49-48(50(35-19-6-2-7-20-35)54-52(53-49)36-21-8-3-9-22-36)38-24-16-23-37(31-38)43-32-39(33-44-42-27-12-15-30-47(42)56-51(43)44)55-45-28-13-10-25-40(45)41-26-11-14-29-46(41)55;1-3-14-30(15-4-1)44-40(29-47-46(48-44)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-43(37)50-45(38)39)49-41-23-10-7-20-35(41)36-21-8-11-24-42(36)49;1-3-14-30(15-4-1)40-29-41(48-46(47-40)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-44(37)50-45(38)39)49-42-23-10-7-20-35(42)36-21-8-11-24-43(36)49/h1-33H;2*1-29H
InChIKeyNZVNCJODMTWGIE-UHFFFAOYSA-N
XLogP39.50
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.58
LogP ≤ 539.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
9-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 130265782
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158853186
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
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
7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158781059
2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 159774163
4-[3-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
CID 153289591
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 154938927
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole (CID 159932650) is 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole?
The InChIKey is NZVNCJODMTWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S.2C46H29N3S/c1-4-17-34(18-5-1)49-48(50(35-19-6-2-7-20-35)54-52(53-49)36-21-8-3-9-22-36)38-24-16-23-37(31-38)43-32-39(33-44-42-27-12-15-30-47(42)56-51(43)44)55-45-28-13-10-25-40(45)41-26-11-14-29-46(41)55;1-3-14-30(15-4-1)44-40(29-47-46(48-44)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-43(37)50-45(38)39)49-41-23-10-7-20-35(41)36-21-8-11-24-42(36)49;1-3-14-30(15-4-1)40-29-41(48-46(47-40)31-16-5-2-6-17-31)33-19-13-18-32(26-33)38-27-34(28-39-37-22-9-12-25-44(37)50-45(38)39)49-42-23-10-7-20-35(42)36-21-8-11-24-43(36)49/h1-33H;2*1-29H.
What are the key properties of 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole?
9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole has a molecular weight of 2043.58 g/mol, XLogP of 39.50, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(2,4-diphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 159932650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).