9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C43H26N4O — CID 166952775

IUPAC9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc(-c5cccc6ccccc56)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)47-37-22-8-6-17-32(37)33-18-7-9-23-38(33)47)36-21-11-20-35-34-25-24-29(26-39(34)48-40(35)36)31-19-10-15-27-12-4-5-16-30(27)31/h1-26H
InChIKeyIKPIJABUXAGLMY-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 166952775) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID166952775
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc(-c5cccc6ccccc56)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)47-37-22-8-6-17-32(37)33-18-7-9-23-38(33)47)36-21-11-20-35-34-25-24-29(26-39(34)48-40(35)36)31-19-10-15-27-12-4-5-16-30(27)31/h1-26H
InChIKeyIKPIJABUXAGLMY-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
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-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165375461
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 166952775) is 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5cccc6ccccc56)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IKPIJABUXAGLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)47-37-22-8-6-17-32(37)33-18-7-9-23-38(33)47)36-21-11-20-35-34-25-24-29(26-39(34)48-40(35)36)31-19-10-15-27-12-4-5-16-30(27)31/h1-26H.
What are the key properties of 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166952775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).