1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole

C57H35N5S — CID 176874272

IUPAC1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)38-33-34-50-45(35-38)52-41(25-15-32-51(52)63-50)43-27-14-26-42-40-23-10-12-28-46(40)62(54(42)43)49-31-16-30-48-53(49)44-24-11-13-29-47(44)61(48)39-21-8-3-9-22-39/h1-35H
InChIKeyQAFWWQHXLOGLNA-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 176874272) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
PubChem CID176874272
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)n2)cc1
InChIInChI=1S/C57H35N5S/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)38-33-34-50-45(35-38)52-41(25-15-32-51(52)63-50)43-27-14-26-42-40-23-10-12-28-46(40)62(54(42)43)49-31-16-30-48-53(49)44-24-11-13-29-47(44)61(48)39-21-8-3-9-22-39/h1-35H
InChIKeyQAFWWQHXLOGLNA-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874220
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
9-[2-[8-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607682
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874233
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
1-dibenzothiophen-1-yl-9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705068
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

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole (CID 176874272) is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5cccc(-c6cccc7c8ccccc8n(-c8cccc9c8c8ccccc8n9-c8ccccc8)c67)c5c4c3)n2)cc1.
What is the InChIKey of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is QAFWWQHXLOGLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-4-17-36(18-5-1)55-58-56(37-19-6-2-7-20-37)60-57(59-55)38-33-34-50-45(35-38)52-41(25-15-32-51(52)63-50)43-27-14-26-42-40-23-10-12-28-46(40)62(54(42)43)49-31-16-30-48-53(49)44-24-11-13-29-47(44)61(48)39-21-8-3-9-22-39/h1-35H.
What are the key properties of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole?
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 176874272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).