2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C44H27N3O — CID 142515513

IUPAC2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)=C1
InChIInChI=1S/C44H27N3O/c1-2-5-13-27(12-4-1)42-45-43(28-14-6-3-7-15-28)47-44(46-42)36-20-11-21-39-41(36)37-26-29(22-25-38(37)48-39)30-23-24-35-32-17-9-8-16-31(32)34-19-10-18-33(30)40(34)35/h1,3-26H,2H2
InChIKeyOAGPDYKOBAJTIP-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.47
Rot. Bonds4

About 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 142515513) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID142515513
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)=C1
InChIInChI=1S/C44H27N3O/c1-2-5-13-27(12-4-1)42-45-43(28-14-6-3-7-15-28)47-44(46-42)36-20-11-21-39-41(36)37-26-29(22-25-38(37)48-39)30-23-24-35-32-17-9-8-16-31(32)34-19-10-18-33(30)40(34)35/h1,3-26H,2H2
InChIKeyOAGPDYKOBAJTIP-UHFFFAOYSA-N
XLogP11.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-(8-fluoranthen-3-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-pyren-2-yldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 160553070
2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199117
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 142515513) is 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)=C1.
What is the InChIKey of 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is OAGPDYKOBAJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-2-5-13-27(12-4-1)42-45-43(28-14-6-3-7-15-28)47-44(46-42)36-20-11-21-39-41(36)37-26-29(22-25-38(37)48-39)30-23-24-35-32-17-9-8-16-31(32)34-19-10-18-33(30)40(34)35/h1,3-26H,2H2.
What are the key properties of 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 613.72 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 142515513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).