4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

C48H37N3O — CID 167008027

IUPAC4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESCC1CC=Cc2c(C3=NC(c4cccc(C5=CC=CCC5)c4)N=C(c4ccc5ccccc5c4)N3)ccc(-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C48H37N3O/c1-30-12-9-20-38-40(27-26-39(44(30)38)37-21-11-23-43-45(37)41-19-7-8-22-42(41)52-43)48-50-46(35-18-10-17-34(28-35)31-13-3-2-4-14-31)49-47(51-48)36-25-24-32-15-5-6-16-33(32)29-36/h2-3,5-11,13,15-30,46H,4,12,14H2,1H3,(H,49,50,51)
InChIKeyNGGRFOZAVXAQRV-UHFFFAOYSA-N
MW671.84 g/mol
LogP12.16
Rot. Bonds5

About 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine

4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 167008027) has the molecular formula C48H37N3O and a molecular weight of 671.84 g/mol. Its IUPAC name is 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID167008027
Molecular FormulaC48H37N3O
Molecular Weight671.84 g/mol
Exact Mass671.29
IUPAC Name4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESCC1CC=Cc2c(C3=NC(c4cccc(C5=CC=CCC5)c4)N=C(c4ccc5ccccc5c4)N3)ccc(-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C48H37N3O/c1-30-12-9-20-38-40(27-26-39(44(30)38)37-21-11-23-43-45(37)41-19-7-8-22-42(41)52-43)48-50-46(35-18-10-17-34(28-35)31-13-3-2-4-14-31)49-47(51-48)36-25-24-32-15-5-6-16-33(32)29-36/h2-3,5-11,13,15-30,46H,4,12,14H2,1H3,(H,49,50,51)
InChIKeyNGGRFOZAVXAQRV-UHFFFAOYSA-N
XLogP12.16
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167007621
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
9-(4-naphthalen-2-yl-6-phenanthren-3-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 172508104
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
9-(6-chrysen-3-yl-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801457

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine (CID 167008027) is 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is CC1CC=Cc2c(C3=NC(c4cccc(C5=CC=CCC5)c4)N=C(c4ccc5ccccc5c4)N3)ccc(-c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is NGGRFOZAVXAQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3O/c1-30-12-9-20-38-40(27-26-39(44(30)38)37-21-11-23-43-45(37)41-19-7-8-22-42(41)52-43)48-50-46(35-18-10-17-34(28-35)31-13-3-2-4-14-31)49-47(51-48)36-25-24-32-15-5-6-16-33(32)29-36/h2-3,5-11,13,15-30,46H,4,12,14H2,1H3,(H,49,50,51).
What are the key properties of 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 671.84 g/mol, XLogP of 12.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-dibenzofuran-1-yl-5-methyl-5,6-dihydronaphthalen-1-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167008027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).