2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one

C53H36N6O2 — CID 156646879

IUPAC2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1cccc(-c2ccc3oc4cccc(-c5nc(=O)n6c(-c7ccccc7)cc(-c7ccccc7)cc6n5)c4c3c2)c1
InChIInChI=1S/C53H36N6O2/c1-58-51(37-22-12-5-13-23-37)55-49(36-20-10-4-11-21-36)56-52(58)40-25-14-24-38(30-40)39-28-29-45-43(31-39)48-42(26-15-27-46(48)61-45)50-54-47-33-41(34-16-6-2-7-17-34)32-44(59(47)53(60)57-50)35-18-8-3-9-19-35/h2-33,52H,1H3
InChIKeyUVFDZHABVORFQU-UHFFFAOYSA-N
MW788.91 g/mol
LogP11.49
Rot. Bonds7

About 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one

2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 156646879) has the molecular formula C53H36N6O2 and a molecular weight of 788.91 g/mol. Its IUPAC name is 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID156646879
Molecular FormulaC53H36N6O2
Molecular Weight788.91 g/mol
Exact Mass788.29
IUPAC Name2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1cccc(-c2ccc3oc4cccc(-c5nc(=O)n6c(-c7ccccc7)cc(-c7ccccc7)cc6n5)c4c3c2)c1
InChIInChI=1S/C53H36N6O2/c1-58-51(37-22-12-5-13-23-37)55-49(36-20-10-4-11-21-36)56-52(58)40-25-14-24-38(30-40)39-28-29-45-43(31-39)48-42(26-15-27-46(48)61-45)50-54-47-33-41(34-16-6-2-7-17-34)32-44(59(47)53(60)57-50)35-18-8-3-9-19-35/h2-33,52H,1H3
InChIKeyUVFDZHABVORFQU-UHFFFAOYSA-N
XLogP11.49
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one with MolForge

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Related Compounds

1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163582620
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one (CID 156646879) is 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one is CN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1cccc(-c2ccc3oc4cccc(-c5nc(=O)n6c(-c7ccccc7)cc(-c7ccccc7)cc6n5)c4c3c2)c1.
What is the InChIKey of 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is UVFDZHABVORFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6O2/c1-58-51(37-22-12-5-13-23-37)55-49(36-20-10-4-11-21-36)56-52(58)40-25-14-24-38(30-40)39-28-29-45-43(31-39)48-42(26-15-27-46(48)61-45)50-54-47-33-41(34-16-6-2-7-17-34)32-44(59(47)53(60)57-50)35-18-8-3-9-19-35/h2-33,52H,1H3.
What are the key properties of 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one?
2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 788.91 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 156646879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).