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

C49H33N3O — CID 170247021

IUPAC4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-12-32(13-4-1)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-30-39(31-45-46(43)42-19-9-10-21-44(42)53-45)34-22-26-36(27-23-34)41-20-11-17-35-14-7-8-18-40(35)41/h1-31,48H,(H,50,51,52)
InChIKeyIBQJHKMVJWKNFL-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.24
Rot. Bonds6

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

4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 170247021) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID170247021
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-12-32(13-4-1)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-30-39(31-45-46(43)42-19-9-10-21-44(42)53-45)34-22-26-36(27-23-34)41-20-11-17-35-14-7-8-18-40(35)41/h1-31,48H,(H,50,51,52)
InChIKeyIBQJHKMVJWKNFL-UHFFFAOYSA-N
XLogP12.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
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
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
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
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
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
1-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-N,N-dinaphthalen-2-yldibenzofuran-3-amine
CID 156550295
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 170247021) is 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc4oc5ccccc5c34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is IBQJHKMVJWKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-12-32(13-4-1)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-30-39(31-45-46(43)42-19-9-10-21-44(42)53-45)34-22-26-36(27-23-34)41-20-11-17-35-14-7-8-18-40(35)41/h1-31,48H,(H,50,51,52).
What are the key properties of 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170247021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).