2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

C49H31N3O2 — CID 170423789

IUPAC2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cc(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4cccc5c4oc4ccccc45)=N3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C49H31N3O2/c1-2-12-30(13-3-1)34-28-41(45-39-18-7-9-23-43(39)53-44(45)29-34)49-51-47(33-26-24-32(25-27-33)36-19-10-15-31-14-4-5-16-35(31)36)50-48(52-49)40-21-11-20-38-37-17-6-8-22-42(37)54-46(38)40/h1-29,49H,(H,50,51,52)
InChIKeyNUPUNQWWVWIKMT-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.47
Rot. Bonds5

About 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170423789) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID170423789
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cc(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4cccc5c4oc4ccccc45)=N3)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C49H31N3O2/c1-2-12-30(13-3-1)34-28-41(45-39-18-7-9-23-43(39)53-44(45)29-34)49-51-47(33-26-24-32(25-27-33)36-19-10-15-31-14-4-5-16-35(31)36)50-48(52-49)40-21-11-20-38-37-17-6-8-22-42(37)54-46(38)40/h1-29,49H,(H,50,51,52)
InChIKeyNUPUNQWWVWIKMT-UHFFFAOYSA-N
XLogP12.47
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-6-phenyl-4-(9-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,4-dihydro-1,3,5-triazine
CID 166975785
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-(3-phenanthren-2-yldibenzofuran-1-yl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 167029899
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (CID 170423789) is 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cc(C3N=C(c4ccc(-c5cccc6ccccc56)cc4)NC(c4cccc5c4oc4ccccc45)=N3)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is NUPUNQWWVWIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-2-12-30(13-3-1)34-28-41(45-39-18-7-9-23-43(39)53-44(45)29-34)49-51-47(33-26-24-32(25-27-33)36-19-10-15-31-14-4-5-16-35(31)36)50-48(52-49)40-21-11-20-38-37-17-6-8-22-42(37)54-46(38)40/h1-29,49H,(H,50,51,52).
What are the key properties of 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 12.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170423789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).