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

C87H50N6S3 — CID 126632181

IUPAC2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12
InChIInChI=1S/C87H50N6S3/c1-7-19-73-61(13-1)64-39-31-57(54-34-42-82-70(45-54)67-16-4-10-22-79(67)94-82)48-76(64)91(73)60-37-29-52(30-38-60)51-25-27-53(28-26-51)85-88-86(92-74-20-8-2-14-62(74)65-40-32-58(49-77(65)92)55-35-43-83-71(46-55)68-17-5-11-23-80(68)95-83)90-87(89-85)93-75-21-9-3-15-63(75)66-41-33-59(50-78(66)93)56-36-44-84-72(47-56)69-18-6-12-24-81(69)96-84/h1-50H
InChIKeyQMCIXXGMNVAJNM-UHFFFAOYSA-N
MW1275.60 g/mol
LogP24.60
Rot. Bonds8

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

2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 126632181) has the molecular formula C87H50N6S3 and a molecular weight of 1275.60 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID126632181
Molecular FormulaC87H50N6S3
Molecular Weight1275.60 g/mol
Exact Mass1274.33
IUPAC Name2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12
InChIInChI=1S/C87H50N6S3/c1-7-19-73-61(13-1)64-39-31-57(54-34-42-82-70(45-54)67-16-4-10-22-79(67)94-82)48-76(64)91(73)60-37-29-52(30-38-60)51-25-27-53(28-26-51)85-88-86(92-74-20-8-2-14-62(74)65-40-32-58(49-77(65)92)55-35-43-83-71(46-55)68-17-5-11-23-80(68)95-83)90-87(89-85)93-75-21-9-3-15-63(75)66-41-33-59(50-78(66)93)56-36-44-84-72(47-56)69-18-6-12-24-81(69)96-84/h1-50H
InChIKeyQMCIXXGMNVAJNM-UHFFFAOYSA-N
XLogP24.60
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.60
LogP ≤ 524.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 126632178
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 174170365
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 126632181) is 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12.
What is the InChIKey of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QMCIXXGMNVAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H50N6S3/c1-7-19-73-61(13-1)64-39-31-57(54-34-42-82-70(45-54)67-16-4-10-22-79(67)94-82)48-76(64)91(73)60-37-29-52(30-38-60)51-25-27-53(28-26-51)85-88-86(92-74-20-8-2-14-62(74)65-40-32-58(49-77(65)92)55-35-43-83-71(46-55)68-17-5-11-23-80(68)95-83)90-87(89-85)93-75-21-9-3-15-63(75)66-41-33-59(50-78(66)93)56-36-44-84-72(47-56)69-18-6-12-24-81(69)96-84/h1-50H.
What are the key properties of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1275.60 g/mol, XLogP of 24.60, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 126632181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).