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

C58H36N4S — CID 169297724

IUPAC3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)-c9ccccc9C%10)n8)c7c6c5)ccc43)c2)cc1
InChIInChI=1S/C58H36N4S/c1-3-13-36(14-4-1)38-18-11-19-44(32-38)62-51-23-10-9-21-46(51)49-33-39(27-29-52(49)62)40-28-30-53-50(34-40)55-47(22-12-24-54(55)63-53)58-60-56(37-15-5-2-6-16-37)59-57(61-58)43-26-25-42-31-41-17-7-8-20-45(41)48(42)35-43/h1-30,32-35H,31H2
InChIKeyKPPSUZIKBSBSDL-UHFFFAOYSA-N
MW821.02 g/mol
LogP15.24
Rot. Bonds6

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

3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 169297724) has the molecular formula C58H36N4S and a molecular weight of 821.02 g/mol. Its IUPAC name is 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole
PubChem CID169297724
Molecular FormulaC58H36N4S
Molecular Weight821.02 g/mol
Exact Mass820.27
IUPAC Name3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)-c9ccccc9C%10)n8)c7c6c5)ccc43)c2)cc1
InChIInChI=1S/C58H36N4S/c1-3-13-36(14-4-1)38-18-11-19-44(32-38)62-51-23-10-9-21-46(51)49-33-39(27-29-52(49)62)40-28-30-53-50(34-40)55-47(22-12-24-54(55)63-53)58-60-56(37-15-5-2-6-16-37)59-57(61-58)43-26-25-42-31-41-17-7-8-20-45(41)48(42)35-43/h1-30,32-35H,31H2
InChIKeyKPPSUZIKBSBSDL-UHFFFAOYSA-N
XLogP15.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 170265361
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(2-phenylphenyl)carbazole
CID 154601901
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154602202
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542485

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole (CID 169297724) is 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6sc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)-c9ccccc9C%10)n8)c7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is KPPSUZIKBSBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4S/c1-3-13-36(14-4-1)38-18-11-19-44(32-38)62-51-23-10-9-21-46(51)49-33-39(27-29-52(49)62)40-28-30-53-50(34-40)55-47(22-12-24-54(55)63-53)58-60-56(37-15-5-2-6-16-37)59-57(61-58)43-26-25-42-31-41-17-7-8-20-45(41)48(42)35-43/h1-30,32-35H,31H2.
What are the key properties of 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole?
3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 821.02 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 169297724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).