9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

C57H35N5S — CID 168742559

IUPAC9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-4-15-36(16-5-1)39-27-30-43-42-21-10-12-25-49(42)61(50(43)33-39)56-58-55(48-24-14-23-47-46-22-11-13-26-53(46)63-54(47)48)59-57(60-56)62-51-34-40(37-17-6-2-7-18-37)28-31-44(51)45-32-29-41(35-52(45)62)38-19-8-3-9-20-38/h1-35H
InChIKeyMLWHOTPZDSOKKK-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (PubChem CID 168742559) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
PubChem CID168742559
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)c3c2)cc1
InChIInChI=1S/C57H35N5S/c1-4-15-36(16-5-1)39-27-30-43-42-21-10-12-25-49(42)61(50(43)33-39)56-58-55(48-24-14-23-47-46-22-11-13-26-53(46)63-54(47)48)59-57(60-56)62-51-34-40(37-17-6-2-7-18-37)28-31-44(51)45-32-29-41(35-52(45)62)38-19-8-3-9-20-38/h1-35H
InChIKeyMLWHOTPZDSOKKK-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236586
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430
9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164957839

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (CID 168742559) is 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5cccc6c5sc5ccccc56)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)c3c2)cc1.
What is the InChIKey of 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The InChIKey is MLWHOTPZDSOKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-4-15-36(16-5-1)39-27-30-43-42-21-10-12-25-49(42)61(50(43)33-39)56-58-55(48-24-14-23-47-46-22-11-13-26-53(46)63-54(47)48)59-57(60-56)62-51-34-40(37-17-6-2-7-18-37)28-31-44(51)45-32-29-41(35-52(45)62)38-19-8-3-9-20-38/h1-35H.
What are the key properties of 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 168742559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).