2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine

C48H29N3O2S — CID 167008316

IUPAC2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESC=C(c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3sc4ccccc4c23)n1)c1c(C)oc2cc(-c3cccc4oc5ccccc5c34)ccc12
InChIInChI=1S/C48H29N3O2S/c1-27(43-28(2)52-40-26-31(23-24-35(40)43)33-15-9-18-39-44(33)34-13-5-7-17-38(34)53-39)46-49-47(32-22-21-29-11-3-4-12-30(29)25-32)51-48(50-46)37-16-10-20-42-45(37)36-14-6-8-19-41(36)54-42/h3-26H,1H2,2H3
InChIKeyYLPSOTQWACTDQG-UHFFFAOYSA-N
MW711.85 g/mol
LogP13.41
Rot. Bonds5

About 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine

2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 167008316) has the molecular formula C48H29N3O2S and a molecular weight of 711.85 g/mol. Its IUPAC name is 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID167008316
Molecular FormulaC48H29N3O2S
Molecular Weight711.85 g/mol
Exact Mass711.20
IUPAC Name2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESC=C(c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3sc4ccccc4c23)n1)c1c(C)oc2cc(-c3cccc4oc5ccccc5c34)ccc12
InChIInChI=1S/C48H29N3O2S/c1-27(43-28(2)52-40-26-31(23-24-35(40)43)33-15-9-18-39-44(33)34-13-5-7-17-38(34)53-39)46-49-47(32-22-21-29-11-3-4-12-30(29)25-32)51-48(50-46)37-16-10-20-42-45(37)36-14-6-8-19-41(36)54-42/h3-26H,1H2,2H3
InChIKeyYLPSOTQWACTDQG-UHFFFAOYSA-N
XLogP13.41
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.85
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011861
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
CID 174198311
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 167008316) is 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is C=C(c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3sc4ccccc4c23)n1)c1c(C)oc2cc(-c3cccc4oc5ccccc5c34)ccc12.
What is the InChIKey of 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is YLPSOTQWACTDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O2S/c1-27(43-28(2)52-40-26-31(23-24-35(40)43)33-15-9-18-39-44(33)34-13-5-7-17-38(34)53-39)46-49-47(32-22-21-29-11-3-4-12-30(29)25-32)51-48(50-46)37-16-10-20-42-45(37)36-14-6-8-19-41(36)54-42/h3-26H,1H2,2H3.
What are the key properties of 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 711.85 g/mol, XLogP of 13.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-dibenzofuran-1-yl-2-methyl-1-benzofuran-3-yl)ethenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 167008316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).