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

C47H31N3O — CID 167029619

IUPAC4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cc(-c5cccc6ccccc56)cc5oc6ccccc6c45)c4ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)39-27-26-38(36-21-9-10-22-37(36)39)41-28-33(35-24-13-19-30-14-7-8-20-34(30)35)29-43-44(41)40-23-11-12-25-42(40)51-43/h1-29,45H,(H,48,49,50)
InChIKeyATTRPBJWTJWGCF-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.72
Rot. Bonds5

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

4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 167029619) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID167029619
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cc(-c5cccc6ccccc56)cc5oc6ccccc6c45)c4ccccc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C47H31N3O/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)39-27-26-38(36-21-9-10-22-37(36)39)41-28-33(35-24-13-19-30-14-7-8-20-34(30)35)29-43-44(41)40-23-11-12-25-42(40)51-43/h1-29,45H,(H,48,49,50)
InChIKeyATTRPBJWTJWGCF-UHFFFAOYSA-N
XLogP11.72
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
4-(3-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030334
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
12-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166701946
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 167029619) is 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cc(-c5cccc6ccccc56)cc5oc6ccccc6c45)c4ccccc34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is ATTRPBJWTJWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-3-15-31(16-4-1)45-48-46(32-17-5-2-6-18-32)50-47(49-45)39-27-26-38(36-21-9-10-22-37(36)39)41-28-33(35-24-13-19-30-14-7-8-20-34(30)35)29-43-44(41)40-23-11-12-25-42(40)51-43/h1-29,45H,(H,48,49,50).
What are the key properties of 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 653.79 g/mol, XLogP of 11.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).