2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C43H29N3O — CID 170008177

IUPAC2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc23)CC1c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-35(27-39-40(37)36-17-9-10-18-38(36)47-39)30-21-19-29(20-22-30)34-24-23-28-11-7-8-16-33(28)25-34/h1-26,35H,27H2
InChIKeyJHCDILJJNCSJJU-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.54
Rot. Bonds5

About 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170008177) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170008177
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc23)CC1c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-35(27-39-40(37)36-17-9-10-18-38(36)47-39)30-21-19-29(20-22-30)34-24-23-28-11-7-8-16-33(28)25-34/h1-26,35H,27H2
InChIKeyJHCDILJJNCSJJU-UHFFFAOYSA-N
XLogP10.54
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

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
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-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-[3-methyl-9-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170423054
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-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
4-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801287
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-naphthalen-2-yl-4-phenyl-6-(2-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 167007303
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 170008177) is 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc23)CC1c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JHCDILJJNCSJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-12-31(13-4-1)41-44-42(32-14-5-2-6-15-32)46-43(45-41)37-26-35(27-39-40(37)36-17-9-10-18-38(36)47-39)30-21-19-29(20-22-30)34-24-23-28-11-7-8-16-33(28)25-34/h1-26,35H,27H2.
What are the key properties of 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170008177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).