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

C93H54N6S3 — CID 126632090

IUPAC9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C93H54N6S3/c1-7-28-79-67(22-1)76-49-55(58-34-40-73-70-25-4-10-31-85(70)100-88(73)52-58)37-43-82(76)97(79)64-19-13-16-61(46-64)91-94-92(62-17-14-20-65(47-62)98-80-29-8-2-23-68(80)77-50-56(38-44-83(77)98)59-35-41-74-71-26-5-11-32-86(71)101-89(74)53-59)96-93(95-91)63-18-15-21-66(48-63)99-81-30-9-3-24-69(81)78-51-57(39-45-84(78)99)60-36-42-75-72-27-6-12-33-87(72)102-90(75)54-60/h1-54H
InChIKeyWGGSVJRXZPYFPV-UHFFFAOYSA-N
MW1351.70 g/mol
LogP26.27
Rot. Bonds9

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

9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole (PubChem CID 126632090) has the molecular formula C93H54N6S3 and a molecular weight of 1351.70 g/mol. Its IUPAC name is 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole.

Molecular Properties

Compound Name9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
PubChem CID126632090
Molecular FormulaC93H54N6S3
Molecular Weight1351.70 g/mol
Exact Mass1350.36
IUPAC Name9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1
InChIInChI=1S/C93H54N6S3/c1-7-28-79-67(22-1)76-49-55(58-34-40-73-70-25-4-10-31-85(70)100-88(73)52-58)37-43-82(76)97(79)64-19-13-16-61(46-64)91-94-92(62-17-14-20-65(47-62)98-80-29-8-2-23-68(80)77-50-56(38-44-83(77)98)59-35-41-74-71-26-5-11-32-86(71)101-89(74)53-59)96-93(95-91)63-18-15-21-66(48-63)99-81-30-9-3-24-69(81)78-51-57(39-45-84(78)99)60-36-42-75-72-27-6-12-33-87(72)102-90(75)54-60/h1-54H
InChIKeyWGGSVJRXZPYFPV-UHFFFAOYSA-N
XLogP26.27
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.70
LogP ≤ 526.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
CID 154624627
9-[3-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747138
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176831517
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
3-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 70660998

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole?
The IUPAC name of 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole (CID 126632090) is 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole.
What is the SMILES notation for 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole?
The canonical SMILES for 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole is c1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)sc6ccccc67)ccc54)c3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)c1.
What is the InChIKey of 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole?
The InChIKey is WGGSVJRXZPYFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H54N6S3/c1-7-28-79-67(22-1)76-49-55(58-34-40-73-70-25-4-10-31-85(70)100-88(73)52-58)37-43-82(76)97(79)64-19-13-16-61(46-64)91-94-92(62-17-14-20-65(47-62)98-80-29-8-2-23-68(80)77-50-56(38-44-83(77)98)59-35-41-74-71-26-5-11-32-86(71)101-89(74)53-59)96-93(95-91)63-18-15-21-66(48-63)99-81-30-9-3-24-69(81)78-51-57(39-45-84(78)99)60-36-42-75-72-27-6-12-33-87(72)102-90(75)54-60/h1-54H.
What are the key properties of 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole?
9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole has a molecular weight of 1351.70 g/mol, XLogP of 26.27, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole is sourced from PubChem (CID 126632090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).