1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane

C59H40N4O2 — CID 142567985

IUPAC1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H34N4O2.C2H6/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-46-44-18-5-8-25-50(44)62-52(46)34-39)36-27-30-40(31-28-36)61-49-24-7-4-17-43(49)47-22-11-20-41(53(47)61)37-15-10-16-38(33-37)42-21-12-23-48-45-19-6-9-26-51(45)63-54(42)48;1-2/h1-34H;1-2H3
InChIKeyTWEUZWSLYPUNCG-UHFFFAOYSA-N
MW837.00 g/mol
LogP16.13
Rot. Bonds6

About 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane

1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane (PubChem CID 142567985) has the molecular formula C59H40N4O2 and a molecular weight of 837.00 g/mol. Its IUPAC name is 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane.

Molecular Properties

Compound Name1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
PubChem CID142567985
Molecular FormulaC59H40N4O2
Molecular Weight837.00 g/mol
Exact Mass836.32
IUPAC Name1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H34N4O2.C2H6/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-46-44-18-5-8-25-50(44)62-52(46)34-39)36-27-30-40(31-28-36)61-49-24-7-4-17-43(49)47-22-11-20-41(53(47)61)37-15-10-16-38(33-37)42-21-12-23-48-45-19-6-9-26-51(45)63-54(42)48;1-2/h1-34H;1-2H3
InChIKeyTWEUZWSLYPUNCG-UHFFFAOYSA-N
XLogP16.13
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.00
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142568378
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568683
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 159616127
1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 157292587
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619

Frequently Asked Questions

What is the IUPAC name of 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane?
The IUPAC name of 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane (CID 142567985) is 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane.
What is the SMILES notation for 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane?
The canonical SMILES for 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c54)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane?
The InChIKey is TWEUZWSLYPUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2.C2H6/c1-2-13-35(14-3-1)55-58-56(60-57(59-55)39-29-32-46-44-18-5-8-25-50(44)62-52(46)34-39)36-27-30-40(31-28-36)61-49-24-7-4-17-43(49)47-22-11-20-41(53(47)61)37-15-10-16-38(33-37)42-21-12-23-48-45-19-6-9-26-51(45)63-54(42)48;1-2/h1-34H;1-2H3.
What are the key properties of 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane?
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane has a molecular weight of 837.00 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane is sourced from PubChem (CID 142567985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).