2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C48H29N3O — CID 170926440

IUPAC2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C48H29N3O/c1-2-11-30(12-3-1)47-49-44(50-48(51-47)34-21-20-29-10-4-5-13-31(29)26-34)28-33-14-8-19-43-45(33)41-27-32(22-25-42(41)52-43)35-23-24-40-37-16-7-6-15-36(37)39-18-9-17-38(35)46(39)40/h1-27H,28H2
InChIKeyJEIJJGLABIIECS-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.32
Rot. Bonds5

About 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 170926440) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID170926440
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C48H29N3O/c1-2-11-30(12-3-1)47-49-44(50-48(51-47)34-21-20-29-10-4-5-13-31(29)26-34)28-33-14-8-19-43-45(33)41-27-32(22-25-42(41)52-43)35-23-24-40-37-16-7-6-15-36(37)39-18-9-17-38(35)46(39)40/h1-27H,28H2
InChIKeyJEIJJGLABIIECS-UHFFFAOYSA-N
XLogP12.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-6-phenyl-1,3,5-triazine
CID 170927092
2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927343
2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927310
2-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170927190
2-naphthalen-2-yl-4-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167182694
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927151
2-naphthalen-2-yl-4-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 174316163
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 166743108
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 170926440) is 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(Cc3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is JEIJJGLABIIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-11-30(12-3-1)47-49-44(50-48(51-47)34-21-20-29-10-4-5-13-31(29)26-34)28-33-14-8-19-43-45(33)41-27-32(22-25-42(41)52-43)35-23-24-40-37-16-7-6-15-36(37)39-18-9-17-38(35)46(39)40/h1-27H,28H2.
What are the key properties of 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 663.78 g/mol, XLogP of 12.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170926440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).