4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C69H45BrN4S2 — CID 158892473

IUPAC4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESBrc1ccc(-c2cccc3c2sc2ccccc23)cc1.[H][2H].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C51H32N4S.C18H11BrS.H2/c1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)38-28-31-46-44(32-38)41-16-7-9-20-45(41)55(46)39-29-26-34(27-30-39)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;/h1-32H;1-11H;1H/i;;1+1
InChIKeyJEKHRRYZPSYOTO-FCHARDOESA-N
MW1075.19 g/mol
LogP20.40
Rot. Bonds7

About 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 158892473) has the molecular formula C69H45BrN4S2 and a molecular weight of 1075.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID158892473
Molecular FormulaC69H45BrN4S2
Molecular Weight1075.19 g/mol
Exact Mass1073.23
IUPAC Name4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESBrc1ccc(-c2cccc3c2sc2ccccc23)cc1.[H][2H].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C51H32N4S.C18H11BrS.H2/c1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)38-28-31-46-44(32-38)41-16-7-9-20-45(41)55(46)39-29-26-34(27-30-39)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;/h1-32H;1-11H;1H/i;;1+1
InChIKeyJEKHRRYZPSYOTO-FCHARDOESA-N
XLogP20.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.19
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
3-dibenzothiophen-4-yl-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164957895
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 154602013
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 158892473) is 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Brc1ccc(-c2cccc3c2sc2ccccc23)cc1.[H][2H].c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is JEKHRRYZPSYOTO-FCHARDOESA-N. The full InChI is InChI=1S/C51H32N4S.C18H11BrS.H2/c1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)38-28-31-46-44(32-38)41-16-7-9-20-45(41)55(46)39-29-26-34(27-30-39)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;/h1-32H;1-11H;1H/i;;1+1.
What are the key properties of 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1075.19 g/mol, XLogP of 20.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 158892473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).