2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C41H27N3O — CID 166845890

IUPAC2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C2c3ccccc3OC12
InChIInChI=1S/C41H27N3O/c1-2-10-26(11-3-1)33-24-35(38-34-16-8-9-17-36(34)45-37(38)25-33)41-43-39(31-20-18-27-12-4-6-14-29(27)22-31)42-40(44-41)32-21-19-28-13-5-7-15-30(28)23-32/h1-25,37-38H
InChIKeyWKLJRWBPIJLSET-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.54
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 166845890) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID166845890
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=C(c2ccccc2)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C2c3ccccc3OC12
InChIInChI=1S/C41H27N3O/c1-2-10-26(11-3-1)33-24-35(38-34-16-8-9-17-36(34)45-37(38)25-33)41-43-39(31-20-18-27-12-4-6-14-29(27)22-31)42-40(44-41)32-21-19-28-13-5-7-15-30(28)23-32/h1-25,37-38H
InChIKeyWKLJRWBPIJLSET-UHFFFAOYSA-N
XLogP9.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-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-dibenzofuran-1-yl-4-(3-dibenzofuran-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167182162
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 170021922
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165151326
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167007481

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 166845890) is 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=C(c2ccccc2)C=C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C2c3ccccc3OC12.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is WKLJRWBPIJLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-10-26(11-3-1)33-24-35(38-34-16-8-9-17-36(34)45-37(38)25-33)41-43-39(31-20-18-27-12-4-6-14-29(27)22-31)42-40(44-41)32-21-19-28-13-5-7-15-30(28)23-32/h1-25,37-38H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(3-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 166845890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).