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

C69H41N5S2 — CID 134236586

IUPAC2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H41N5S2/c1-3-15-42(16-4-1)44-29-34-55(56(37-44)43-17-5-2-6-18-43)67-70-68(73-59-23-11-7-19-49(59)51-32-27-47(40-61(51)73)45-30-35-65-57(38-45)53-21-9-13-25-63(53)75-65)72-69(71-67)74-60-24-12-8-20-50(60)52-33-28-48(41-62(52)74)46-31-36-66-58(39-46)54-22-10-14-26-64(54)76-66/h1-41H
InChIKeyODPLIDKYPZOWGZ-UHFFFAOYSA-N
MW1004.26 g/mol
LogP19.14
Rot. Bonds7

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

2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 134236586) has the molecular formula C69H41N5S2 and a molecular weight of 1004.26 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID134236586
Molecular FormulaC69H41N5S2
Molecular Weight1004.26 g/mol
Exact Mass1003.28
IUPAC Name2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H41N5S2/c1-3-15-42(16-4-1)44-29-34-55(56(37-44)43-17-5-2-6-18-43)67-70-68(73-59-23-11-7-19-49(59)51-32-27-47(40-61(51)73)45-30-35-65-57(38-45)53-21-9-13-25-63(53)75-65)72-69(71-67)74-60-24-12-8-20-50(60)52-33-28-48(41-62(52)74)46-31-36-66-58(39-46)54-22-10-14-26-64(54)76-66/h1-41H
InChIKeyODPLIDKYPZOWGZ-UHFFFAOYSA-N
XLogP19.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.26
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
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
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
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236623

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 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) is 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-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-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)nc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is ODPLIDKYPZOWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5S2/c1-3-15-42(16-4-1)44-29-34-55(56(37-44)43-17-5-2-6-18-43)67-70-68(73-59-23-11-7-19-49(59)51-32-27-47(40-61(51)73)45-30-35-65-57(38-45)53-21-9-13-25-63(53)75-65)72-69(71-67)74-60-24-12-8-20-50(60)52-33-28-48(41-62(52)74)46-31-36-66-58(39-46)54-22-10-14-26-64(54)76-66/h1-41H.
What are the key properties of 2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole?
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1004.26 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 134236586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).