6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine

C48H31N3O2 — CID 171587273

IUPAC6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2cccc3oc4ccccc4c23)=NC(c2ccc3ccccc3c2)=NC1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12
InChIInChI=1S/C48H31N3O2/c1-51-47(38-15-8-18-41-44(38)36-14-6-7-17-40(36)52-41)49-46(35-23-21-30-11-3-5-13-32(30)27-35)50-48(51)39-16-9-19-42-45(39)37-25-24-34(28-43(37)53-42)33-22-20-29-10-2-4-12-31(29)26-33/h2-28,48H,1H3
InChIKeyFUZHRUPNJWFTNV-UHFFFAOYSA-N
MW681.80 g/mol
LogP12.30
Rot. Bonds4

About 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine

6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine (PubChem CID 171587273) has the molecular formula C48H31N3O2 and a molecular weight of 681.80 g/mol. Its IUPAC name is 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
PubChem CID171587273
Molecular FormulaC48H31N3O2
Molecular Weight681.80 g/mol
Exact Mass681.24
IUPAC Name6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2cccc3oc4ccccc4c23)=NC(c2ccc3ccccc3c2)=NC1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12
InChIInChI=1S/C48H31N3O2/c1-51-47(38-15-8-18-41-44(38)36-14-6-7-17-40(36)52-41)49-46(35-23-21-30-11-3-5-13-32(30)27-35)50-48(51)39-16-9-19-42-45(39)37-25-24-34(28-43(37)53-42)33-22-20-29-10-2-4-12-31(29)26-33/h2-28,48H,1H3
InChIKeyFUZHRUPNJWFTNV-UHFFFAOYSA-N
XLogP12.30
TPSA54.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.80
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
3-naphthalen-2-yldibenzofuran
CID 68932481
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine?
The IUPAC name of 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine (CID 171587273) is 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine.
What is the SMILES notation for 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine?
The canonical SMILES for 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine is CN1C(c2cccc3oc4ccccc4c23)=NC(c2ccc3ccccc3c2)=NC1c1cccc2oc3cc(-c4ccc5ccccc5c4)ccc3c12.
What is the InChIKey of 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine?
The InChIKey is FUZHRUPNJWFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O2/c1-51-47(38-15-8-18-41-44(38)36-14-6-7-17-40(36)52-41)49-46(35-23-21-30-11-3-5-13-32(30)27-35)50-48(51)39-16-9-19-42-45(39)37-25-24-34(28-43(37)53-42)33-22-20-29-10-2-4-12-31(29)26-33/h2-28,48H,1H3.
What are the key properties of 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine?
6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine has a molecular weight of 681.80 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine is sourced from PubChem (CID 171587273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).