4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole

C51H32N4S — CID 139556171

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc54)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H32N4S/c1-4-15-33(16-5-1)34-27-29-35(30-28-34)38-31-42-39-21-11-13-26-46(39)56-48(42)45(32-38)55-43-24-12-10-22-40(43)47-41(23-14-25-44(47)55)51-53-49(36-17-6-2-7-18-36)52-50(54-51)37-19-8-3-9-20-37/h1-32H
InChIKeyWRAQYOGKWCKTGT-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 139556171) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole
PubChem CID139556171
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc54)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H32N4S/c1-4-15-33(16-5-1)34-27-29-35(30-28-34)38-31-42-39-21-11-13-26-46(39)56-48(42)45(32-38)55-43-24-12-10-22-40(43)47-41(23-14-25-44(47)55)51-53-49(36-17-6-2-7-18-36)52-50(54-51)37-19-8-3-9-20-37/h1-32H
InChIKeyWRAQYOGKWCKTGT-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzothiophen-4-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556070
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326
9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139556264
4-(4-dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534565
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169011339
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
4-[4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170151798
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 147359936
4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154231

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole (CID 139556171) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc54)c4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is WRAQYOGKWCKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-15-33(16-5-1)34-27-29-35(30-28-34)38-31-42-39-21-11-13-26-46(39)56-48(42)45(32-38)55-43-24-12-10-22-40(43)47-41(23-14-25-44(47)55)51-53-49(36-17-6-2-7-18-36)52-50(54-51)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 139556171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).