9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole

C57H34N4OS — CID 174365433

IUPAC9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3oc4cccc(-c5ccc6c(c5)sc5ccccc56)c4c23)cc1
InChIInChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-28-31-47-45(33-38)41-21-10-12-24-46(41)61(47)54-44(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)30-32-49-53(54)52-40(23-14-25-48(52)62-49)39-27-29-43-42-22-11-13-26-50(42)63-51(43)34-39/h1-34H
InChIKeyUJOMMBYQCKEGGJ-UHFFFAOYSA-N
MW822.99 g/mol
LogP15.57
Rot. Bonds6

About 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole

9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole (PubChem CID 174365433) has the molecular formula C57H34N4OS and a molecular weight of 822.99 g/mol. Its IUPAC name is 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole
PubChem CID174365433
Molecular FormulaC57H34N4OS
Molecular Weight822.99 g/mol
Exact Mass822.25
IUPAC Name9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3oc4cccc(-c5ccc6c(c5)sc5ccccc56)c4c23)cc1
InChIInChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-28-31-47-45(33-38)41-21-10-12-24-46(41)61(47)54-44(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)30-32-49-53(54)52-40(23-14-25-48(52)62-49)39-27-29-43-42-22-11-13-26-50(42)63-51(43)34-39/h1-34H
InChIKeyUJOMMBYQCKEGGJ-UHFFFAOYSA-N
XLogP15.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347354
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]carbazole
CID 174365480
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010831
9-[4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952562
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953299
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768583
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804

Frequently Asked Questions

What is the IUPAC name of 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole?
The IUPAC name of 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole (CID 174365433) is 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3oc4cccc(-c5ccc6c(c5)sc5ccccc56)c4c23)cc1.
What is the InChIKey of 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole?
The InChIKey is UJOMMBYQCKEGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-28-31-47-45(33-38)41-21-10-12-24-46(41)61(47)54-44(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)30-32-49-53(54)52-40(23-14-25-48(52)62-49)39-27-29-43-42-22-11-13-26-50(42)63-51(43)34-39/h1-34H.
What are the key properties of 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole?
9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole has a molecular weight of 822.99 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-3-phenylcarbazole is sourced from PubChem (CID 174365433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).