9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole

C57H34N4OS — CID 168721833

IUPAC9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1
InChIInChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-27-29-41-40-21-10-12-24-47(40)61(49(41)34-38)48-25-14-23-43-44-30-31-45(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)52(54(44)62-53(43)48)39-28-32-51-46(33-39)42-22-11-13-26-50(42)63-51/h1-34H
InChIKeyKLWKBLMFRCFPHG-UHFFFAOYSA-N
MW822.99 g/mol
LogP15.57
Rot. Bonds6

About 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole

9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole (PubChem CID 168721833) has the molecular formula C57H34N4OS and a molecular weight of 822.99 g/mol. Its IUPAC name is 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
PubChem CID168721833
Molecular FormulaC57H34N4OS
Molecular Weight822.99 g/mol
Exact Mass822.25
IUPAC Name9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1
InChIInChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-27-29-41-40-21-10-12-24-47(40)61(49(41)34-38)48-25-14-23-43-44-30-31-45(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)52(54(44)62-53(43)48)39-28-32-51-46(33-39)42-22-11-13-26-50(42)63-51/h1-34H
InChIKeyKLWKBLMFRCFPHG-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

9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-4-yl]carbazole
CID 169011254
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]carbazole
CID 146664357
9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707515
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
9-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500030
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154601825
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574773
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 159038500
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
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole (CID 168721833) is 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c(-c6ccc7sc8ccccc8c7c6)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc45)c3c2)cc1.
What is the InChIKey of 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole?
The InChIKey is KLWKBLMFRCFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4OS/c1-4-15-35(16-5-1)38-27-29-41-40-21-10-12-24-47(40)61(49(41)34-38)48-25-14-23-43-44-30-31-45(57-59-55(36-17-6-2-7-18-36)58-56(60-57)37-19-8-3-9-20-37)52(54(44)62-53(43)48)39-28-32-51-46(33-39)42-22-11-13-26-50(42)63-51/h1-34H.
What are the key properties of 9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole?
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-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-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 168721833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).