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

C45H28N4O — CID 130191498

IUPAC1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6cccc7c6oc6ccccc67)c54)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)31-18-11-19-32(28-31)49-39-26-9-7-20-33(39)35-22-12-23-36(41(35)49)38-25-13-24-37-34-21-8-10-27-40(34)50-42(37)38/h1-28H
InChIKeySYEBWAXIIQTZJK-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 130191498) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID130191498
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6cccc7c6oc6ccccc67)c54)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)31-18-11-19-32(28-31)49-39-26-9-7-20-33(39)35-22-12-23-36(41(35)49)38-25-13-24-37-34-21-8-10-27-40(34)50-42(37)38/h1-28H
InChIKeySYEBWAXIIQTZJK-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342623
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
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
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
12-dibenzofuran-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385266
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153889
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283311
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 130191498) is 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6cccc7c6oc6ccccc67)c54)c3)n2)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is SYEBWAXIIQTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)31-18-11-19-32(28-31)49-39-26-9-7-20-33(39)35-22-12-23-36(41(35)49)38-25-13-24-37-34-21-8-10-27-40(34)50-42(37)38/h1-28H.
What are the key properties of 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 130191498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).