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

C85H48N6S3 — CID 126632178

IUPAC2-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
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc6cc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)ccc6c5)c4c3)cc12
InChIInChI=1S/C85H48N6S3/c1-7-19-71-59(13-1)62-35-28-54(51-31-38-80-68(43-51)65-16-4-10-22-77(65)92-80)46-74(62)89(71)58-34-27-49-41-57(26-25-50(49)42-58)83-86-84(90-72-20-8-2-14-60(72)63-36-29-55(47-75(63)90)52-32-39-81-69(44-52)66-17-5-11-23-78(66)93-81)88-85(87-83)91-73-21-9-3-15-61(73)64-37-30-56(48-76(64)91)53-33-40-82-70(45-53)67-18-6-12-24-79(67)94-82/h1-48H
InChIKeyGKOYJVHKHLROLR-UHFFFAOYSA-N
MW1249.56 g/mol
LogP24.09
Rot. Bonds7

About 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

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 (PubChem CID 126632178) has the molecular formula C85H48N6S3 and a molecular weight of 1249.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID126632178
Molecular FormulaC85H48N6S3
Molecular Weight1249.56 g/mol
Exact Mass1248.31
IUPAC Name2-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
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc6cc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)ccc6c5)c4c3)cc12
InChIInChI=1S/C85H48N6S3/c1-7-19-71-59(13-1)62-35-28-54(51-31-38-80-68(43-51)65-16-4-10-22-77(65)92-80)46-74(62)89(71)58-34-27-49-41-57(26-25-50(49)42-58)83-86-84(90-72-20-8-2-14-60(72)63-36-29-55(47-75(63)90)52-32-39-81-69(44-52)66-17-5-11-23-78(66)93-81)88-85(87-83)91-73-21-9-3-15-61(73)64-37-30-56(48-76(64)91)53-33-40-82-70(45-53)67-18-6-12-24-79(67)94-82/h1-48H
InChIKeyGKOYJVHKHLROLR-UHFFFAOYSA-N
XLogP24.09
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.56
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-[4-carbazol-9-yl-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742562
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
9-dibenzothiophen-2-yl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 139555195
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 174170365
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccc6cc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11sc%12ccccc%12c%11c%10)cc98)n7)ccc6c5)c4c3)cc12.
What is the InChIKey of 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?
The InChIKey is GKOYJVHKHLROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H48N6S3/c1-7-19-71-59(13-1)62-35-28-54(51-31-38-80-68(43-51)65-16-4-10-22-77(65)92-80)46-74(62)89(71)58-34-27-49-41-57(26-25-50(49)42-58)83-86-84(90-72-20-8-2-14-60(72)63-36-29-55(47-75(63)90)52-32-39-81-69(44-52)66-17-5-11-23-78(66)93-81)88-85(87-83)91-73-21-9-3-15-61(73)64-37-30-56(48-76(64)91)53-33-40-82-70(45-53)67-18-6-12-24-79(67)94-82/h1-48H.
What are the key properties of 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?
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 has a molecular weight of 1249.56 g/mol, XLogP of 24.09, 7 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-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 126632178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).