2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

C53H33N3O2 — CID 170424302

IUPAC2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5ccccc5)cc4c3)n2)c2c(oc3ccccc23)CC1c1cccc2oc3ccccc3c12
InChIInChI=1S/C53H33N3O2/c1-2-11-32(12-3-1)36-24-21-34-23-26-38(29-39(34)28-36)52-54-51(37-25-22-33-13-4-5-14-35(33)27-37)55-53(56-52)44-30-40(31-48-50(44)43-16-7-9-19-46(43)58-48)41-17-10-20-47-49(41)42-15-6-8-18-45(42)57-47/h1-30,40H,31H2
InChIKeyUSMUUDRJNZHQLX-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.60
Rot. Bonds5

About 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170424302) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID170424302
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5ccccc5)cc4c3)n2)c2c(oc3ccccc23)CC1c1cccc2oc3ccccc3c12
InChIInChI=1S/C53H33N3O2/c1-2-11-32(12-3-1)36-24-21-34-23-26-38(29-39(34)28-36)52-54-51(37-25-22-33-13-4-5-14-35(33)27-37)55-53(56-52)44-30-40(31-48-50(44)43-16-7-9-19-46(43)58-48)41-17-10-20-47-49(41)42-15-6-8-18-45(42)57-47/h1-30,40H,31H2
InChIKeyUSMUUDRJNZHQLX-UHFFFAOYSA-N
XLogP13.60
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170008177
2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170218706
2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170145316
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-[3-methyl-9-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170423054
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 170424302) is 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is C1=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccc(-c5ccccc5)cc4c3)n2)c2c(oc3ccccc23)CC1c1cccc2oc3ccccc3c12.
What is the InChIKey of 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is USMUUDRJNZHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-11-32(12-3-1)36-24-21-34-23-26-38(29-39(34)28-36)52-54-51(37-25-22-33-13-4-5-14-35(33)27-37)55-53(56-52)44-30-40(31-48-50(44)43-16-7-9-19-46(43)58-48)41-17-10-20-47-49(41)42-15-6-8-18-45(42)57-47/h1-30,40H,31H2.
What are the key properties of 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170424302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).