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

C57H33N5S2 — CID 153300131

IUPAC9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C57H33N5S2/c1-2-16-34(17-3-1)55-58-56(51-47(32-30-41-39-22-8-14-28-49(39)63-53(41)51)61-43-24-10-4-18-35(43)36-19-5-11-25-44(36)61)60-57(59-55)52-48(33-31-42-40-23-9-15-29-50(40)64-54(42)52)62-45-26-12-6-20-37(45)38-21-7-13-27-46(38)62/h1-33H
InChIKeyWIADFVBTRBVZDJ-UHFFFAOYSA-N
MW852.06 g/mol
LogP15.80
Rot. Bonds5

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

9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 153300131) has the molecular formula C57H33N5S2 and a molecular weight of 852.06 g/mol. Its IUPAC name is 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
PubChem CID153300131
Molecular FormulaC57H33N5S2
Molecular Weight852.06 g/mol
Exact Mass851.22
IUPAC Name9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C57H33N5S2/c1-2-16-34(17-3-1)55-58-56(51-47(32-30-41-39-22-8-14-28-49(39)63-53(41)51)61-43-24-10-4-18-35(43)36-19-5-11-25-44(36)61)60-57(59-55)52-48(33-31-42-40-23-9-15-29-50(40)64-54(42)52)62-45-26-12-6-20-37(45)38-21-7-13-27-46(38)62/h1-33H
InChIKeyWIADFVBTRBVZDJ-UHFFFAOYSA-N
XLogP15.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.06
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 118530397
2-(3-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118530436
9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 153300149
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166915189
2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]carbazole
CID 164977559
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
9-[4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]carbazole
CID 168831657
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165033898
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole (CID 153300131) is 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is WIADFVBTRBVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5S2/c1-2-16-34(17-3-1)55-58-56(51-47(32-30-41-39-22-8-14-28-49(39)63-53(41)51)61-43-24-10-4-18-35(43)36-19-5-11-25-44(36)61)60-57(59-55)52-48(33-31-42-40-23-9-15-29-50(40)64-54(42)52)62-45-26-12-6-20-37(45)38-21-7-13-27-46(38)62/h1-33H.
What are the key properties of 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole has a molecular weight of 852.06 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 153300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).