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

C57H32N4O3 — CID 169060947

IUPAC9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1
InChIInChI=1S/C57H32N4O3/c1-5-25-47-37(15-1)38-16-2-6-26-48(38)61(47)57-59-55(58-56(60-57)35-29-30-41-39-17-3-7-27-49(39)62-51(41)32-35)34-14-9-13-33(31-34)36-19-10-21-43-45-23-12-24-46(54(45)64-52(36)43)44-22-11-20-42-40-18-4-8-28-50(40)63-53(42)44/h1-32H
InChIKeyPAFBQRMYCQXLRI-UHFFFAOYSA-N
MW820.91 g/mol
LogP15.33
Rot. Bonds5

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

9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 169060947) has the molecular formula C57H32N4O3 and a molecular weight of 820.91 g/mol. Its IUPAC name is 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID169060947
Molecular FormulaC57H32N4O3
Molecular Weight820.91 g/mol
Exact Mass820.25
IUPAC Name9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1
InChIInChI=1S/C57H32N4O3/c1-5-25-47-37(15-1)38-16-2-6-26-48(38)61(47)57-59-55(58-56(60-57)35-29-30-41-39-17-3-7-27-49(39)62-51(41)32-35)34-14-9-13-33(31-34)36-19-10-21-43-45-23-12-24-46(54(45)64-52(36)43)44-22-11-20-42-40-18-4-8-28-50(40)63-53(42)44/h1-32H
InChIKeyPAFBQRMYCQXLRI-UHFFFAOYSA-N
XLogP15.33
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.91
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 155358006
9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146658603
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159381403
9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952775
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 169060947) is 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1.
What is the InChIKey of 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is PAFBQRMYCQXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O3/c1-5-25-47-37(15-1)38-16-2-6-26-48(38)61(47)57-59-55(58-56(60-57)35-29-30-41-39-17-3-7-27-49(39)62-51(41)32-35)34-14-9-13-33(31-34)36-19-10-21-43-45-23-12-24-46(54(45)64-52(36)43)44-22-11-20-42-40-18-4-8-28-50(40)63-53(42)44/h1-32H.
What are the key properties of 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 820.91 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 169060947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).