2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

C47H31N3O — CID 170229900

IUPAC2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESC1=c2ccccc2=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)CC1
InChIInChI=1S/C47H31N3O/c1-2-14-33(15-3-1)45-48-46(34-26-24-32(25-27-34)36-21-10-16-30-12-4-6-18-35(30)36)50-47(49-45)44-39(38-22-11-17-31-13-5-7-19-37(31)38)28-29-42-43(44)40-20-8-9-23-41(40)51-42/h1-10,12-21,23-29H,11,22H2
InChIKeyYGLDBXASNBZNEG-UHFFFAOYSA-N
MW653.79 g/mol
LogP10.37
Rot. Bonds5

About 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 170229900) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID170229900
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESC1=c2ccccc2=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)CC1
InChIInChI=1S/C47H31N3O/c1-2-14-33(15-3-1)45-48-46(34-26-24-32(25-27-34)36-21-10-16-30-12-4-6-18-35(30)36)50-47(49-45)44-39(38-22-11-17-31-13-5-7-19-37(31)38)28-29-42-43(44)40-20-8-9-23-41(40)51-42/h1-10,12-21,23-29H,11,22H2
InChIKeyYGLDBXASNBZNEG-UHFFFAOYSA-N
XLogP10.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-(2,6-dinaphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587269
4-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155203946
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 170229900) is 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is C1=c2ccccc2=C(c2ccc3oc4ccccc4c3c2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)CC1.
What is the InChIKey of 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is YGLDBXASNBZNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-2-14-33(15-3-1)45-48-46(34-26-24-32(25-27-34)36-21-10-16-30-12-4-6-18-35(30)36)50-47(49-45)44-39(38-22-11-17-31-13-5-7-19-37(31)38)28-29-42-43(44)40-20-8-9-23-41(40)51-42/h1-10,12-21,23-29H,11,22H2.
What are the key properties of 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydronaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).