2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline

C70H40N10O2 — CID 146872883

IUPAC2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4cccc(-c6cnc7ccccc7n6)c45)cc3)nc(-c3cccc4oc5cccc(-c6cnc7ccccc7n6)c5c34)n2)cc1
InChIInChI=1S/C70H40N10O2/c1-4-17-42(18-5-1)65-75-66(43-19-6-2-7-20-43)79-70(78-65)50-38-37-46(64-63(50)61-48(24-15-32-59(61)82-64)56-40-72-52-27-11-13-29-54(52)74-56)41-33-35-45(36-34-41)68-76-67(44-21-8-3-9-22-44)77-69(80-68)49-25-16-31-58-62(49)60-47(23-14-30-57(60)81-58)55-39-71-51-26-10-12-28-53(51)73-55/h1-40H
InChIKeySOOKRTCDUOQTJJ-UHFFFAOYSA-N
MW1053.16 g/mol
LogP16.74
Rot. Bonds9

About 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline (PubChem CID 146872883) has the molecular formula C70H40N10O2 and a molecular weight of 1053.16 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline
PubChem CID146872883
Molecular FormulaC70H40N10O2
Molecular Weight1053.16 g/mol
Exact Mass1052.33
IUPAC Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4cccc(-c6cnc7ccccc7n6)c45)cc3)nc(-c3cccc4oc5cccc(-c6cnc7ccccc7n6)c5c34)n2)cc1
InChIInChI=1S/C70H40N10O2/c1-4-17-42(18-5-1)65-75-66(43-19-6-2-7-20-43)79-70(78-65)50-38-37-46(64-63(50)61-48(24-15-32-59(61)82-64)56-40-72-52-27-11-13-29-54(52)74-56)41-33-35-45(36-34-41)68-76-67(44-21-8-3-9-22-44)77-69(80-68)49-25-16-31-58-62(49)60-47(23-14-30-57(60)81-58)55-39-71-51-26-10-12-28-53(51)73-55/h1-40H
InChIKeySOOKRTCDUOQTJJ-UHFFFAOYSA-N
XLogP16.74
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001053.16
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline?
The IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline (CID 146872883) is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline.
What is the SMILES notation for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline?
The canonical SMILES for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4cccc(-c6cnc7ccccc7n6)c45)cc3)nc(-c3cccc4oc5cccc(-c6cnc7ccccc7n6)c5c34)n2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline?
The InChIKey is SOOKRTCDUOQTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N10O2/c1-4-17-42(18-5-1)65-75-66(43-19-6-2-7-20-43)79-70(78-65)50-38-37-46(64-63(50)61-48(24-15-32-59(61)82-64)56-40-72-52-27-11-13-29-54(52)74-56)41-33-35-45(36-34-41)68-76-67(44-21-8-3-9-22-44)77-69(80-68)49-25-16-31-58-62(49)60-47(23-14-30-57(60)81-58)55-39-71-51-26-10-12-28-53(51)73-55/h1-40H.
What are the key properties of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline?
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline has a molecular weight of 1053.16 g/mol, XLogP of 16.74, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-[4-phenyl-6-(9-quinoxalin-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]quinoxaline is sourced from PubChem (CID 146872883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).